data_[K4Pr4Co4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pr  1.1300  1.8500  1.0600
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.1949]
_cell_length_b [4.1054]
_cell_length_c [12.0499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KPrCoS3]
_chemical_formula_sum '[K4 Pr4 Co4 S12]'
_cell_volume [553.8059]
_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  0.1655  0.2500  0.4919  1
  Pr  Pr1  4  0.0217  0.2500  0.8302  1
  Co  Co2  4  0.2437  0.2500  0.2079  1
  S  S3  4  0.0594  0.7500  0.6697  1
  S  S4  4  0.1167  0.2500  0.0595  1
  S  S5  4  0.2146  0.7500  0.2921  1
]