data_[Cs4Cu4Ni2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C222]
_cell_length_a [6.2671]
_cell_length_b [14.6774]
_cell_length_c [6.2744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [21]
_chemical_formula_structural [Cs2Cu2NiTe4]
_chemical_formula_sum '[Cs4 Cu4 Ni2 Te8]'
_cell_volume [577.1428]
_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  4  0.2500  0.2500  0.7498  1
  Cu  Cu1  2  0.0000  0.0000  0.5000  1
  Cu  Cu2  2  0.0000  0.5000  0.0000  1
  Ni  Ni3  2  0.0000  0.0000  0.0000  1
  Te  Te4  8  0.2415  0.0922  0.2415  1
]