# generated using pymatgen
data_Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.15772625
_cell_length_b   9.14770726
_cell_length_c   47.02157196
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo
_chemical_formula_sum   Mo96
_cell_volume   3859.51448556
_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  0.775272  0.027125  0.313135  1
  Mo  Mo2  1  0.275272  0.527125  0.313135  1
  Mo  Mo3  1  0.192428  0.944241  0.348567  1
  Mo  Mo4  1  0.692428  0.444241  0.348567  1
  Mo  Mo5  1  0.025272  0.777125  0.313135  1
  Mo  Mo6  1  0.525272  0.277125  0.313135  1
  Mo  Mo7  1  0.442428  0.694241  0.348567  1
  Mo  Mo8  1  0.942428  0.194241  0.348567  1
  Mo  Mo9  1  0.733196  0.734931  0.329710  1
  Mo  Mo10  1  0.233196  0.234931  0.329710  1
  Mo  Mo11  1  0.311077  0.813160  0.298428  1
  Mo  Mo12  1  0.811077  0.313160  0.298428  1
  Mo  Mo13  1  0.061077  0.063160  0.298428  1
  Mo  Mo14  1  0.561077  0.563160  0.298428  1
  Mo  Mo15  1  0.483196  0.984931  0.329710  1
  Mo  Mo16  1  0.983196  0.484931  0.329710  1
  Mo  Mo17  1  0.608534  0.860140  0.383525  1
  Mo  Mo18  1  0.108534  0.360140  0.383525  1
  Mo  Mo19  1  0.024341  0.775853  0.419699  1
  Mo  Mo20  1  0.524341  0.275853  0.419699  1
  Mo  Mo21  1  0.858534  0.610140  0.383525  1
  Mo  Mo22  1  0.358534  0.110140  0.383525  1
  Mo  Mo23  1  0.274341  0.525853  0.419699  1
  Mo  Mo24  1  0.774341  0.025853  0.419699  1
  Mo  Mo25  1  0.566418  0.568003  0.402110  1
  Mo  Mo26  1  0.066418  0.068003  0.402110  1
  Mo  Mo27  1  0.149988  0.651680  0.365637  1
  Mo  Mo28  1  0.649988  0.151680  0.365637  1
  Mo  Mo29  1  0.899988  0.901680  0.365637  1
  Mo  Mo30  1  0.399988  0.401680  0.365637  1
  Mo  Mo31  1  0.316418  0.818003  0.402110  1
  Mo  Mo32  1  0.816418  0.318003  0.402110  1
  Mo  Mo33  1  0.440478  0.691872  0.455876  1
  Mo  Mo34  1  0.940478  0.191872  0.455876  1
  Mo  Mo35  1  0.856563  0.607833  0.491621  1
  Mo  Mo36  1  0.356563  0.107833  0.491621  1
  Mo  Mo37  1  0.690478  0.441872  0.455876  1
  Mo  Mo38  1  0.190478  0.941872  0.455876  1
  Mo  Mo39  1  0.106563  0.357833  0.491621  1
  Mo  Mo40  1  0.606563  0.857833  0.491621  1
  Mo  Mo41  1  0.398486  0.399818  0.473699  1
  Mo  Mo42  1  0.898486  0.899818  0.473699  1
  Mo  Mo43  1  0.982527  0.483972  0.437645  1
  Mo  Mo44  1  0.482527  0.983972  0.437645  1
  Mo  Mo45  1  0.732527  0.733972  0.437645  1
  Mo  Mo46  1  0.232527  0.233972  0.437645  1
  Mo  Mo47  1  0.148486  0.649818  0.473699  1
  Mo  Mo48  1  0.648486  0.149818  0.473699  1
  Mo  Mo49  1  0.272608  0.523759  0.527691  1
  Mo  Mo50  1  0.772608  0.023759  0.527691  1
  Mo  Mo51  1  0.688568  0.439604  0.563745  1
  Mo  Mo52  1  0.188568  0.939604  0.563745  1
  Mo  Mo53  1  0.522608  0.273759  0.527691  1
  Mo  Mo54  1  0.022608  0.773759  0.527691  1
  Mo  Mo55  1  0.938568  0.189604  0.563745  1
  Mo  Mo56  1  0.438568  0.689604  0.563745  1
  Mo  Mo57  1  0.230616  0.231705  0.545513  1
  Mo  Mo58  1  0.730616  0.731705  0.545513  1
  Mo  Mo59  1  0.814532  0.315743  0.509769  1
  Mo  Mo60  1  0.314532  0.815743  0.509769  1
  Mo  Mo61  1  0.564532  0.565743  0.509769  1
  Mo  Mo62  1  0.064532  0.065743  0.509769  1
  Mo  Mo63  1  0.980616  0.481705  0.545513  1
  Mo  Mo64  1  0.480616  0.981705  0.545513  1
  Mo  Mo65  1  0.104676  0.355574  0.599280  1
  Mo  Mo66  1  0.604676  0.855574  0.599280  1
  Mo  Mo67  1  0.521106  0.271897  0.635753  1
  Mo  Mo68  1  0.021106  0.771897  0.635753  1
  Mo  Mo69  1  0.354676  0.105574  0.599280  1
  Mo  Mo70  1  0.854676  0.605574  0.599280  1
  Mo  Mo71  1  0.771106  0.021897  0.635753  1
  Mo  Mo72  1  0.271106  0.521897  0.635753  1
  Mo  Mo73  1  0.062561  0.063436  0.617864  1
  Mo  Mo74  1  0.562561  0.563436  0.617864  1
  Mo  Mo75  1  0.646754  0.147724  0.581690  1
  Mo  Mo76  1  0.146754  0.647724  0.581690  1
  Mo  Mo77  1  0.396754  0.397724  0.581690  1
  Mo  Mo78  1  0.896754  0.897724  0.581690  1
  Mo  Mo79  1  0.812561  0.313436  0.617864  1
  Mo  Mo80  1  0.312561  0.813436  0.617864  1
  Mo  Mo81  1  0.937898  0.188646  0.671680  1
  Mo  Mo82  1  0.437898  0.688646  0.671680  1
  Mo  Mo83  1  0.360018  0.110416  0.702962  1
  Mo  Mo84  1  0.860018  0.610416  0.702962  1
  Mo  Mo85  1  0.187898  0.938646  0.671680  1
  Mo  Mo86  1  0.687898  0.438646  0.671680  1
  Mo  Mo87  1  0.610018  0.860416  0.702962  1
  Mo  Mo88  1  0.110018  0.360416  0.702962  1
  Mo  Mo89  1  0.895822  0.896452  0.688255  1
  Mo  Mo90  1  0.395822  0.396452  0.688255  1
  Mo  Mo91  1  0.478667  0.979335  0.652823  1
  Mo  Mo92  1  0.978667  0.479335  0.652823  1
  Mo  Mo93  1  0.228667  0.229335  0.652823  1
  Mo  Mo94  1  0.728667  0.729335  0.652823  1
  Mo  Mo95  1  0.645822  0.146452  0.688255  1
  Mo  Mo96  1  0.145822  0.646452  0.688255  1
