# generated using pymatgen
data_Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03682616
_cell_length_b   7.03470205
_cell_length_c   46.23197393
_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   Mo64
_cell_volume   2242.33545238
_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  0.884728  0.884932  0.293432  1
  Mo  Mo2  1  0.384728  0.384932  0.293432  1
  Mo  Mo3  1  0.289313  0.789527  0.319665  1
  Mo  Mo4  1  0.789313  0.289527  0.319665  1
  Mo  Mo5  1  0.634728  0.634932  0.293432  1
  Mo  Mo6  1  0.134728  0.134932  0.293432  1
  Mo  Mo7  1  0.039313  0.539527  0.319665  1
  Mo  Mo8  1  0.539313  0.039527  0.319665  1
  Mo  Mo9  1  0.709247  0.709470  0.347623  1
  Mo  Mo10  1  0.209247  0.209470  0.347623  1
  Mo  Mo11  1  0.125110  0.625344  0.375366  1
  Mo  Mo12  1  0.625110  0.125344  0.375366  1
  Mo  Mo13  1  0.459247  0.459470  0.347623  1
  Mo  Mo14  1  0.959247  0.959470  0.347623  1
  Mo  Mo15  1  0.875110  0.375344  0.375366  1
  Mo  Mo16  1  0.375110  0.875344  0.375366  1
  Mo  Mo17  1  0.541998  0.542243  0.403272  1
  Mo  Mo18  1  0.041998  0.042243  0.403272  1
  Mo  Mo19  1  0.958649  0.458904  0.431088  1
  Mo  Mo20  1  0.458649  0.958904  0.431088  1
  Mo  Mo21  1  0.291998  0.292243  0.403272  1
  Mo  Mo22  1  0.791998  0.792243  0.403272  1
  Mo  Mo23  1  0.708649  0.208904  0.431088  1
  Mo  Mo24  1  0.208649  0.708904  0.431088  1
  Mo  Mo25  1  0.375341  0.375607  0.458948  1
  Mo  Mo26  1  0.875341  0.875607  0.458948  1
  Mo  Mo27  1  0.792033  0.292310  0.486784  1
  Mo  Mo28  1  0.292033  0.792310  0.486784  1
  Mo  Mo29  1  0.125341  0.125607  0.458948  1
  Mo  Mo30  1  0.625341  0.625607  0.458948  1
  Mo  Mo31  1  0.542033  0.042310  0.486784  1
  Mo  Mo32  1  0.042033  0.542310  0.486784  1
  Mo  Mo33  1  0.208717  0.209005  0.514636  1
  Mo  Mo34  1  0.708717  0.709005  0.514636  1
  Mo  Mo35  1  0.625410  0.125709  0.542472  1
  Mo  Mo36  1  0.125410  0.625709  0.542472  1
  Mo  Mo37  1  0.958717  0.959005  0.514636  1
  Mo  Mo38  1  0.458717  0.459005  0.514636  1
  Mo  Mo39  1  0.375410  0.875709  0.542472  1
  Mo  Mo40  1  0.875410  0.375709  0.542472  1
  Mo  Mo41  1  0.042102  0.042411  0.570332  1
  Mo  Mo42  1  0.542102  0.542411  0.570332  1
  Mo  Mo43  1  0.458752  0.959072  0.598148  1
  Mo  Mo44  1  0.958752  0.459072  0.598148  1
  Mo  Mo45  1  0.792102  0.792411  0.570332  1
  Mo  Mo46  1  0.292102  0.292411  0.570332  1
  Mo  Mo47  1  0.208752  0.709072  0.598148  1
  Mo  Mo48  1  0.708752  0.209072  0.598148  1
  Mo  Mo49  1  0.875640  0.875971  0.626053  1
  Mo  Mo50  1  0.375640  0.375971  0.626053  1
  Mo  Mo51  1  0.291504  0.791845  0.653797  1
  Mo  Mo52  1  0.791504  0.291845  0.653797  1
  Mo  Mo53  1  0.625640  0.625971  0.626053  1
  Mo  Mo54  1  0.125640  0.125971  0.626053  1
  Mo  Mo55  1  0.041504  0.541845  0.653797  1
  Mo  Mo56  1  0.541504  0.041845  0.653797  1
  Mo  Mo57  1  0.711437  0.711788  0.681755  1
  Mo  Mo58  1  0.211437  0.211788  0.681755  1
  Mo  Mo59  1  0.116022  0.616384  0.707988  1
  Mo  Mo60  1  0.616022  0.116384  0.707988  1
  Mo  Mo61  1  0.461437  0.461788  0.681755  1
  Mo  Mo62  1  0.961437  0.961788  0.681755  1
  Mo  Mo63  1  0.866022  0.366384  0.707988  1
  Mo  Mo64  1  0.366022  0.866384  0.707988  1
