data_[Cs3Co6As3Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Co  1.8800  1.3500  0.7683
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.7332]
_cell_length_b [6.7332]
_cell_length_c [31.4534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CsCo2AsBr8]
_chemical_formula_sum '[Cs3 Co6 As3 Br24]'
_cell_volume [1234.9115]
_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  1.0
  Co  Co1  6  0.0000  0.0000  0.2607  1.0
  As  As2  3  0.0000  0.0000  0.0000  1.0
  Br  Br3  18  0.0048  0.6784  0.0504  1.0
  Br  Br4  6  0.0000  0.0000  0.1867  1.0
]