data_[K3Pr3Nd12S24]
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 [R3m]
_cell_length_a [8.4883]
_cell_length_b [8.4883]
_cell_length_c [20.8815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [KPr(NdS2)4]
_chemical_formula_sum '[K3 Pr3 Nd12 S24]'
_cell_volume [1302.9808]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6257  1.0
  Pr  Pr1  3  0.0000  0.0000  0.9961  1.0
  Nd  Nd2  9  0.0106  0.5053  0.5013  1.0
  Nd  Nd3  3  0.0000  0.0000  0.3748  1.0
  S  S4  9  0.0190  0.5095  0.7529  1.0
  S  S5  9  0.1873  0.3746  0.5774  1.0
  S  S6  3  0.0000  0.0000  0.2425  1.0
  S  S7  3  0.0000  0.0000  0.7661  1.0
]