# generated using pymatgen
data_Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78010397
_cell_length_b   13.01601013
_cell_length_c   48.09273214
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo
_chemical_formula_sum   Mo96
_cell_volume   3526.5884516
_cell_formula_units_Z   96
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mo  Mo1  1  0.710640  0.915163  0.278274  1
  Mo  Mo2  1  0.872183  0.238514  0.295349  1
  Mo  Mo3  1  0.029502  0.552781  0.313421  1
  Mo  Mo4  1  0.872183  0.738514  0.295349  1
  Mo  Mo5  1  0.029502  0.052781  0.313421  1
  Mo  Mo6  1  0.710640  0.415163  0.278274  1
  Mo  Mo7  1  0.372183  0.738514  0.295349  1
  Mo  Mo8  1  0.529502  0.052781  0.313421  1
  Mo  Mo9  1  0.210640  0.415163  0.278274  1
  Mo  Mo10  1  0.210640  0.915163  0.278274  1
  Mo  Mo11  1  0.372183  0.238514  0.295349  1
  Mo  Mo12  1  0.529502  0.552781  0.313421  1
  Mo  Mo13  1  0.187571  0.868788  0.333990  1
  Mo  Mo14  1  0.345133  0.183704  0.353163  1
  Mo  Mo15  1  0.503597  0.500466  0.372988  1
  Mo  Mo16  1  0.345133  0.683704  0.353163  1
  Mo  Mo17  1  0.503597  0.000466  0.372988  1
  Mo  Mo18  1  0.187571  0.368788  0.333990  1
  Mo  Mo19  1  0.845133  0.683704  0.353163  1
  Mo  Mo20  1  1.003597  0.000466  0.372988  1
  Mo  Mo21  1  0.687571  0.368788  0.333990  1
  Mo  Mo22  1  0.687571  0.868788  0.333990  1
  Mo  Mo23  1  0.845133  0.183704  0.353163  1
  Mo  Mo24  1  1.003597  0.500466  0.372988  1
  Mo  Mo25  1  0.661336  0.815775  0.392736  1
  Mo  Mo26  1  0.819427  0.131790  0.412412  1
  Mo  Mo27  1  0.977421  0.447600  0.432101  1
  Mo  Mo28  1  0.819427  0.631790  0.412412  1
  Mo  Mo29  1  0.977421  0.947600  0.432101  1
  Mo  Mo30  1  0.661336  0.315775  0.392736  1
  Mo  Mo31  1  0.319427  0.631790  0.412412  1
  Mo  Mo32  1  0.477421  0.947600  0.432101  1
  Mo  Mo33  1  0.161336  0.315775  0.392736  1
  Mo  Mo34  1  0.161336  0.815775  0.392736  1
  Mo  Mo35  1  0.319427  0.131790  0.412412  1
  Mo  Mo36  1  0.477421  0.447600  0.432101  1
  Mo  Mo37  1  0.135429  0.763440  0.451827  1
  Mo  Mo38  1  0.293426  0.079258  0.471517  1
  Mo  Mo39  1  0.451442  0.395117  0.491221  1
  Mo  Mo40  1  0.293426  0.579258  0.471517  1
  Mo  Mo41  1  0.451442  0.895117  0.491221  1
  Mo  Mo42  1  0.135429  0.263440  0.451827  1
  Mo  Mo43  1  0.793426  0.579258  0.471517  1
  Mo  Mo44  1  0.951442  0.895117  0.491221  1
  Mo  Mo45  1  0.635429  0.263440  0.451827  1
  Mo  Mo46  1  0.635429  0.763440  0.451827  1
  Mo  Mo47  1  0.793426  0.079258  0.471517  1
  Mo  Mo48  1  0.951442  0.395117  0.491221  1
  Mo  Mo49  1  0.609437  0.710929  0.510927  1
  Mo  Mo50  1  0.767454  0.026789  0.530631  1
  Mo  Mo51  1  0.925451  0.342607  0.550321  1
  Mo  Mo52  1  0.767454  0.526789  0.530631  1
  Mo  Mo53  1  0.925451  0.842607  0.550321  1
  Mo  Mo54  1  0.609437  0.210929  0.510927  1
  Mo  Mo55  1  0.267454  0.526789  0.530631  1
  Mo  Mo56  1  0.425451  0.842607  0.550321  1
  Mo  Mo57  1  0.109437  0.210929  0.510927  1
  Mo  Mo58  1  0.109437  0.710929  0.510927  1
  Mo  Mo59  1  0.267454  0.026789  0.530631  1
  Mo  Mo60  1  0.425451  0.342607  0.550321  1
  Mo  Mo61  1  0.083459  0.658447  0.570047  1
  Mo  Mo62  1  0.241453  0.974256  0.589735  1
  Mo  Mo63  1  0.399543  0.290272  0.609412  1
  Mo  Mo64  1  0.241453  0.474256  0.589735  1
  Mo  Mo65  1  0.399543  0.790272  0.609412  1
  Mo  Mo66  1  0.083459  0.158447  0.570047  1
  Mo  Mo67  1  0.741453  0.474256  0.589735  1
  Mo  Mo68  1  0.899543  0.790272  0.609412  1
  Mo  Mo69  1  0.583459  0.158447  0.570047  1
  Mo  Mo70  1  0.583459  0.658447  0.570047  1
  Mo  Mo71  1  0.741453  0.974256  0.589735  1
  Mo  Mo72  1  0.899543  0.290272  0.609412  1
  Mo  Mo73  1  0.557282  0.605580  0.629160  1
  Mo  Mo74  1  0.715746  0.922342  0.648985  1
  Mo  Mo75  1  0.873309  0.237259  0.668158  1
  Mo  Mo76  1  0.715746  0.422342  0.648985  1
  Mo  Mo77  1  0.873309  0.737259  0.668158  1
  Mo  Mo78  1  0.557282  0.105580  0.629160  1
  Mo  Mo79  1  0.215746  0.422342  0.648985  1
  Mo  Mo80  1  0.373309  0.737259  0.668158  1
  Mo  Mo81  1  0.057282  0.105580  0.629160  1
  Mo  Mo82  1  0.057282  0.605580  0.629160  1
  Mo  Mo83  1  0.215746  0.922342  0.648985  1
  Mo  Mo84  1  0.373309  0.237259  0.668158  1
  Mo  Mo85  1  0.031377  0.553265  0.688726  1
  Mo  Mo86  1  0.188696  0.867533  0.706799  1
  Mo  Mo87  1  0.350239  0.190884  0.723874  1
  Mo  Mo88  1  0.188696  0.367533  0.706799  1
  Mo  Mo89  1  0.350239  0.690884  0.723874  1
  Mo  Mo90  1  0.031377  0.053265  0.688726  1
  Mo  Mo91  1  0.688696  0.367533  0.706799  1
  Mo  Mo92  1  0.850239  0.690884  0.723874  1
  Mo  Mo93  1  0.531377  0.053265  0.688726  1
  Mo  Mo94  1  0.531377  0.553265  0.688726  1
  Mo  Mo95  1  0.688696  0.867533  0.706799  1
  Mo  Mo96  1  0.850239  0.190884  0.723874  1
