data_[K6Pr2Nd4S12]
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
  Nd  1.1400  1.8500  1.2765
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2890]
_cell_length_b [12.6239]
_cell_length_c [7.7895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1708]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Pr(NdS3)2]
_chemical_formula_sum '[K6 Pr2 Nd4 S12]'
_cell_volume [681.0094]
_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
[
  K  K0  4  0.0000  0.1666  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Pr  Pr2  2  0.0000  0.0000  0.0000  1.0
  Nd  Nd3  4  0.0000  0.3333  0.0000  1.0
  S  S4  8  0.2369  0.1676  0.2080  1.0
  S  S5  4  0.2342  0.5000  0.2081  1.0
]