data_[Cs2Co4Ni2Br16]
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
  Ni  1.9100  1.3500  0.7400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8295]
_cell_length_b [7.3356]
_cell_length_c [10.3698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsCo2NiBr8]
_chemical_formula_sum '[Cs2 Co4 Ni2 Br16]'
_cell_volume [813.3053]
_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
[
  Cs  Cs0  2  0.0000  0.0000  0.5000  1.0
  Co  Co1  4  0.1100  0.5000  0.8087  1.0
  Ni  Ni2  2  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.0248  0.2436  0.1835  1.0
  Br  Br4  4  0.1774  0.5000  0.6058  1.0
  Br  Br5  4  0.2354  0.0000  0.0031  1.0
]