data_[B4P8S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.0035]
_cell_length_b [10.6637]
_cell_length_c [5.8934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9092]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [B(PS3)2]
_chemical_formula_sum '[B4 P8 S24]'
_cell_volume [846.3573]
_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  4  0.0000  0.1706  0.7500  1
  P  P1  8  0.1729  0.4200  0.8916  1
  S  S2  8  0.0498  0.0729  0.0271  1
  S  S3  8  0.0995  0.4230  0.1615  1
  S  S4  8  0.1159  0.2563  0.7040  1
]