data_[B8Mo20P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Mo  2.1600  1.4500  0.7750
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.0045]
_cell_length_b [6.0045]
_cell_length_c [11.1587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [B2Mo5P]
_chemical_formula_sum '[B8 Mo20 P4]'
_cell_volume [402.3144]
_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
[
  B  B0  8  0.1185  0.3815  0.0000  1.0
  Mo  Mo1  16  0.1661  0.3339  0.3596  1.0
  Mo  Mo2  4  0.0000  0.0000  0.0000  1.0
  P  P3  4  0.0000  0.0000  0.2500  1.0
]