data_[Cs2Ni2Ag2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ni  1.9100  1.3500  0.7400
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.5714]
_cell_length_b [11.2750]
_cell_length_c [7.9506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsNiAgBr6]
_chemical_formula_sum '[Cs2 Ni2 Ag2 Br12]'
_cell_volume [675.9190]
_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  0.9779  0.0000  1.0
  Ni  Ni1  2  0.0000  0.3335  0.5000  1.0
  Ag  Ag2  2  0.0000  0.6734  0.5000  1.0
  Br  Br3  4  0.1086  0.4885  0.6901  1.0
  Br  Br4  4  0.1384  0.1927  0.6913  1.0
  Br  Br5  4  0.2057  0.8267  0.6653  1.0
]