# generated using pymatgen
data_Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78123309
_cell_length_b   9.18797664
_cell_length_c   49.37168946
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo
_chemical_formula_sum   Mo64
_cell_volume   2487.93829748
_cell_formula_units_Z   64
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  0.266099  0.652220  0.299760  1
  Mo  Mo2  1  0.489902  0.099228  0.325565  1
  Mo  Mo3  1  0.379501  0.378874  0.313360  1
  Mo  Mo4  1  0.149493  0.918622  0.287952  1
  Mo  Mo5  1  0.879501  0.378874  0.313360  1
  Mo  Mo6  1  0.649493  0.918622  0.287952  1
  Mo  Mo7  1  0.766099  0.652220  0.299760  1
  Mo  Mo8  1  0.989902  0.099228  0.325565  1
  Mo  Mo9  1  0.711535  0.542258  0.354297  1
  Mo  Mo10  1  0.934563  0.987917  0.381945  1
  Mo  Mo11  1  0.822582  0.264106  0.367769  1
  Mo  Mo12  1  0.600691  0.820713  0.340574  1
  Mo  Mo13  1  0.322582  0.264106  0.367769  1
  Mo  Mo14  1  0.100691  0.820713  0.340574  1
  Mo  Mo15  1  0.211535  0.542258  0.354297  1
  Mo  Mo16  1  0.434563  0.987917  0.381945  1
  Mo  Mo17  1  0.156354  0.431148  0.409864  1
  Mo  Mo18  1  0.379145  0.876399  0.437845  1
  Mo  Mo19  1  0.267828  0.153934  0.423820  1
  Mo  Mo20  1  0.045496  0.709620  0.396122  1
  Mo  Mo21  1  0.767828  0.153934  0.423820  1
  Mo  Mo22  1  0.545496  0.709620  0.396122  1
  Mo  Mo23  1  0.656354  0.431148  0.409864  1
  Mo  Mo24  1  0.879145  0.876399  0.437845  1
  Mo  Mo25  1  0.601405  0.320575  0.465705  1
  Mo  Mo26  1  0.823860  0.765142  0.493627  1
  Mo  Mo27  1  0.712671  0.042937  0.479678  1
  Mo  Mo28  1  0.490167  0.598268  0.451769  1
  Mo  Mo29  1  0.212671  0.042937  0.479678  1
  Mo  Mo30  1  0.990167  0.598268  0.451769  1
  Mo  Mo31  1  0.101405  0.320575  0.465705  1
  Mo  Mo32  1  0.323860  0.765142  0.493627  1
  Mo  Mo33  1  0.046240  0.209560  0.521523  1
  Mo  Mo34  1  0.268744  0.654229  0.549432  1
  Mo  Mo35  1  0.157507  0.931922  0.535496  1
  Mo  Mo36  1  0.935052  0.487355  0.507573  1
  Mo  Mo37  1  0.657507  0.931922  0.535496  1
  Mo  Mo38  1  0.435052  0.487355  0.507573  1
  Mo  Mo39  1  0.546240  0.209560  0.521523  1
  Mo  Mo40  1  0.768744  0.654229  0.549432  1
  Mo  Mo41  1  0.491084  0.098563  0.577380  1
  Mo  Mo42  1  0.713416  0.542877  0.605079  1
  Mo  Mo43  1  0.602558  0.821348  0.591337  1
  Mo  Mo44  1  0.379766  0.376098  0.563355  1
  Mo  Mo45  1  0.102558  0.821348  0.591337  1
  Mo  Mo46  1  0.879766  0.376098  0.563355  1
  Mo  Mo47  1  0.991084  0.098563  0.577380  1
  Mo  Mo48  1  0.213416  0.542877  0.605079  1
  Mo  Mo49  1  0.936329  0.988391  0.633431  1
  Mo  Mo50  1  0.158220  0.431784  0.660627  1
  Mo  Mo51  1  0.047376  0.710239  0.646904  1
  Mo  Mo52  1  0.824348  0.264580  0.619256  1
  Mo  Mo53  1  0.547376  0.710239  0.646904  1
  Mo  Mo54  1  0.324348  0.264580  0.619256  1
  Mo  Mo55  1  0.436329  0.988391  0.633431  1
  Mo  Mo56  1  0.658220  0.431784  0.660627  1
  Mo  Mo57  1  0.379410  0.873623  0.687841  1
  Mo  Mo58  1  0.609418  0.333875  0.713249  1
  Mo  Mo59  1  0.492813  0.600277  0.701441  1
  Mo  Mo60  1  0.269009  0.153269  0.675635  1
  Mo  Mo61  1  0.992813  0.600277  0.701441  1
  Mo  Mo62  1  0.769009  0.153269  0.675635  1
  Mo  Mo63  1  0.879410  0.873623  0.687841  1
  Mo  Mo64  1  0.109418  0.333875  0.713249  1
