data_[Cs1Sr2Co1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  Co  1.8800  1.3500  0.7683
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8563]
_cell_length_b [7.7861]
_cell_length_c [8.6114]
_cell_angle_alpha [71.7499]
_cell_angle_beta [89.4529]
_cell_angle_gamma [89.5112]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsSr2CoBr8]
_chemical_formula_sum '[Cs1 Sr2 Co1 Br8]'
_cell_volume [436.5630]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  Sr  Sr1  2  0.4861  0.0164  0.2376  1.0
  Co  Co2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.0105  0.0186  0.2776  1.0
  Br  Br4  2  0.2460  0.2324  0.9149  1.0
  Br  Br5  2  0.2483  0.7660  0.0693  1.0
  Br  Br6  2  0.4990  0.2760  0.4338  1.0
]