# generated using pymatgen
data_Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12593737
_cell_length_b   3.12593737
_cell_length_c   47.48494950
_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   Mo14
_cell_volume   463.998446086
_cell_formula_units_Z   14
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  0.503873  0.503873  0.314345  1
  Mo  Mo2  1  1.003873  1.003873  0.280998  1
  Mo  Mo3  1  0.503873  0.503873  0.380815  1
  Mo  Mo4  1  1.003873  1.003873  0.347332  1
  Mo  Mo5  1  0.503873  0.503873  0.447512  1
  Mo  Mo6  1  1.003873  1.003873  0.414139  1
  Mo  Mo7  1  0.503873  0.503873  0.514232  1
  Mo  Mo8  1  1.003873  1.003873  0.480868  1
  Mo  Mo9  1  0.503873  0.503873  0.580962  1
  Mo  Mo10  1  1.003873  1.003873  0.547589  1
  Mo  Mo11  1  0.503873  0.503873  0.647768  1
  Mo  Mo12  1  1.003873  1.003873  0.614286  1
  Mo  Mo13  1  0.503873  0.503873  0.714102  1
  Mo  Mo14  1  1.003873  1.003873  0.680756  1
