data_[K4Y4Ni4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [14.2978]
_cell_length_b [3.9154]
_cell_length_c [10.6267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KYNiS3]
_chemical_formula_sum '[K4 Y4 Ni4 S12]'
_cell_volume [594.9063]
_cell_formula_units_Z [4]
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
[
  K  K0  4  0.2312  0.7500  0.0403  1
  Y  Y1  4  0.0192  0.7500  0.3442  1
  Ni  Ni2  4  0.0097  0.2500  0.0875  1
  S  S3  4  0.0699  0.2500  0.8951  1
  S  S4  4  0.1002  0.7500  0.5731  1
  S  S5  4  0.1252  0.2500  0.2378  1
]