data_[Cs3Cr3Bi6Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cr  1.6600  1.4000  0.9400
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.4521]
_cell_length_b [7.4521]
_cell_length_c [27.5968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CsCr(BiBr4)2]
_chemical_formula_sum '[Cs3 Cr3 Bi6 Br24]'
_cell_volume [1327.2326]
_cell_formula_units_Z [3]
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
[
  Cs  Cs0  3  -0.0000  0.0000  0.5000  1
  Cr  Cr1  3  0.0000  0.0000  0.0000  1
  Bi  Bi2  6  0.0000  0.0000  0.2910  1
  Br  Br3  18  0.0067  0.3922  0.2819  1
  Br  Br4  6  0.0000  0.0000  0.1930  1
]