data_[Mo4P8]
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 [C2/m]
_cell_length_a [8.5257]
_cell_length_b [3.1730]
_cell_length_c [7.5307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2745]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MoP2]
_chemical_formula_sum '[Mo4 P8]'
_cell_volume [177.7023]
_cell_formula_units_Z [4]
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  0.1582  0.5000  0.7067  1.0
  P  P1  4  0.1018  0.0000  0.4021  1.0
  P  P2  4  0.1390  0.5000  0.0252  1.0
]