data_[Mo8P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.6467]
_cell_length_b [6.1247]
_cell_length_c [9.1605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [MoP]
_chemical_formula_sum '[Mo8 P8]'
_cell_volume [260.7047]
_cell_formula_units_Z [8]
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  Mo0  4  0.1548  0.9052  0.5424  1
  Mo  Mo1  4  0.1557  0.4355  0.2525  1
  P  P2  4  0.1567  0.5249  0.5084  1
  P  P3  4  0.1765  0.9264  0.8050  1
]