data_[Mo8P5]
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 [Pm]
_cell_length_a [6.5843]
_cell_length_b [3.2059]
_cell_length_c [9.4726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3750]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Mo8P5]
_chemical_formula_sum '[Mo8 P5]'
_cell_volume [188.6301]
_cell_formula_units_Z [1]
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  1  0.2013  0.0000  0.4290  1.0
  Mo  Mo1  1  0.2092  0.0000  0.7507  1.0
  Mo  Mo2  1  0.3899  0.5000  0.2185  1.0
  Mo  Mo3  1  0.6022  0.5000  0.9480  1.0
  Mo  Mo4  1  0.6420  0.0000  0.6926  1.0
  Mo  Mo5  1  0.7635  0.0000  0.2199  1.0
  Mo  Mo6  1  0.8710  0.5000  0.5026  1.0
  Mo  Mo7  1  0.9957  0.0000  0.9976  1.0
  P  P8  1  0.0218  0.5000  0.2121  1.0
  P  P9  1  0.3476  0.5000  0.6237  1.0
  P  P10  1  0.3751  0.0000  0.0174  1.0
  P  P11  1  0.5758  0.0000  0.4251  1.0
  P  P12  1  0.9376  0.5000  0.7925  1.0
]