# generated using pymatgen
data_Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07326884
_cell_length_b   4.07326884
_cell_length_c   49.83308585
_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   Mo20
_cell_volume   826.8065908
_cell_formula_units_Z   20
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  0.005644  0.505644  0.309605  1
  Mo  Mo2  1  0.505644  0.005644  0.309605  1
  Mo  Mo3  1  0.005644  0.005644  0.349271  1
  Mo  Mo4  1  0.505644  0.505644  0.349271  1
  Mo  Mo5  1  0.005644  0.505644  0.391196  1
  Mo  Mo6  1  0.505644  0.005644  0.391196  1
  Mo  Mo7  1  0.005644  0.005644  0.433104  1
  Mo  Mo8  1  0.505644  0.505644  0.433104  1
  Mo  Mo9  1  0.005644  0.505644  0.475012  1
  Mo  Mo10  1  0.505644  0.005644  0.475012  1
  Mo  Mo11  1  0.005644  0.005644  0.516919  1
  Mo  Mo12  1  0.505644  0.505644  0.516919  1
  Mo  Mo13  1  0.005644  0.505644  0.558827  1
  Mo  Mo14  1  0.505644  0.005644  0.558827  1
  Mo  Mo15  1  0.005644  0.005644  0.600735  1
  Mo  Mo16  1  0.505644  0.505644  0.600735  1
  Mo  Mo17  1  0.005644  0.505644  0.642660  1
  Mo  Mo18  1  0.505644  0.005644  0.642660  1
  Mo  Mo19  1  0.005644  0.005644  0.682326  1
  Mo  Mo20  1  0.505644  0.505644  0.682326  1
