data_[K10P2S8Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.5873]
_cell_length_b [10.8832]
_cell_length_c [7.8352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [K5P(S2Br)2]
_chemical_formula_sum '[K10 P2 S8 Br4]'
_cell_volume [817.5323]
_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
[
  K  K0  8  0.2271  0.2019  0.0757  1.0
  K  K1  2  0.5000  0.0000  0.5620  1.0
  P  P2  2  0.0000  0.0000  0.6143  1.0
  S  S3  4  0.0000  0.1525  0.7724  1.0
  S  S4  4  0.1752  0.0000  0.4603  1.0
  Br  Br5  4  0.5000  0.2352  0.8250  1.0
]