data_[B6P4Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [3.2724]
_cell_length_b [19.6138]
_cell_length_c [19.2374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [B3P2Cl3]
_chemical_formula_sum '[B6 P4 Cl6]'
_cell_volume [1234.7233]
_cell_formula_units_Z [2]
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  0.2115  0.2500  0.4818  1
  B  B1  2  0.3599  0.5000  0.5653  1
  P  P2  4  0.4610  0.2101  0.3877  1
  Cl  Cl3  4  0.2772  0.4230  0.6080  1
  Cl  Cl4  2  0.0390  0.0000  0.4796  1
]