# generated using pymatgen
data_Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12196657
_cell_length_b   9.94563845
_cell_length_c   47.93677755
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo
_chemical_formula_sum   Mo42
_cell_volume   1488.43458117
_cell_formula_units_Z   42
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  0.504514  0.949426  0.343184  1
  Mo  Mo2  1  0.504514  0.653350  0.322708  1
  Mo  Mo3  1  0.504514  0.359641  0.300119  1
  Mo  Mo4  1  1.004514  0.147641  0.320409  1
  Mo  Mo5  1  1.004514  0.854016  0.301222  1
  Mo  Mo6  1  1.004514  0.568741  0.281277  1
  Mo  Mo7  1  0.504514  0.850666  0.405196  1
  Mo  Mo8  1  0.504514  0.549658  0.384125  1
  Mo  Mo9  1  0.504514  0.250217  0.362212  1
  Mo  Mo10  1  1.004514  0.051684  0.383902  1
  Mo  Mo11  1  1.004514  0.750786  0.363639  1
  Mo  Mo12  1  1.004514  0.450175  0.341857  1
  Mo  Mo13  1  0.504514  0.750636  0.467561  1
  Mo  Mo14  1  0.504514  0.450366  0.446543  1
  Mo  Mo15  1  0.504514  0.151032  0.425518  1
  Mo  Mo16  1  1.004514  0.950994  0.446622  1
  Mo  Mo17  1  1.004514  0.650230  0.425869  1
  Mo  Mo18  1  1.004514  0.350188  0.404539  1
  Mo  Mo19  1  0.504514  0.650830  0.530153  1
  Mo  Mo20  1  0.504514  0.350925  0.509124  1
  Mo  Mo21  1  0.504514  0.050873  0.488255  1
  Mo  Mo22  1  1.004514  0.850738  0.509225  1
  Mo  Mo23  1  1.004514  0.550686  0.488355  1
  Mo  Mo24  1  1.004514  0.250781  0.467327  1
  Mo  Mo25  1  0.504514  0.551423  0.592941  1
  Mo  Mo26  1  0.504514  0.251381  0.571611  1
  Mo  Mo27  1  0.504514  0.950616  0.550858  1
  Mo  Mo28  1  1.004514  0.750579  0.571962  1
  Mo  Mo29  1  1.004514  0.451245  0.550937  1
  Mo  Mo30  1  1.004514  0.150974  0.529919  1
  Mo  Mo31  1  0.504514  0.451435  0.655623  1
  Mo  Mo32  1  0.504514  0.150824  0.633841  1
  Mo  Mo33  1  0.504514  0.849927  0.613578  1
  Mo  Mo34  1  1.004514  0.651394  0.635268  1
  Mo  Mo35  1  1.004514  0.351952  0.613355  1
  Mo  Mo36  1  1.004514  0.050945  0.592284  1
  Mo  Mo37  1  0.504514  0.332869  0.716202  1
  Mo  Mo38  1  0.504514  0.047595  0.696258  1
  Mo  Mo39  1  0.504514  0.753970  0.677071  1
  Mo  Mo40  1  1.004514  0.541970  0.697361  1
  Mo  Mo41  1  1.004514  0.248261  0.674771  1
  Mo  Mo42  1  1.004514  0.952185  0.654296  1
