data_[Cs2K2Ni2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.5871]
_cell_length_b [7.6309]
_cell_length_c [6.4740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [CsKNiS2]
_chemical_formula_sum '[Cs2 K2 Ni2 S4]'
_cell_volume [276.0191]
_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  0.2500  0.5000  0.2326  1
  K  K1  2  0.2500  0.0000  0.4046  1
  Ni  Ni2  2  0.0000  0.0000  0.0000  1
  S  S3  4  0.2500  0.1955  0.8491  1
]