data_[K3Pm12Pr3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pm  1.1300  1.8500  1.1100
  Pr  1.1300  1.8500  1.0600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.4287]
_cell_length_b [8.4287]
_cell_length_c [20.8208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [KPm4PrS8]
_chemical_formula_sum '[K3 Pm12 Pr3 S24]'
_cell_volume [1280.9971]
_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  0.3736  1
  Pm  Pm1  9  0.1720  0.3441  0.8320  1
  Pr  Pr2  3  0.0000  0.0000  0.0040  1
  Pm  Pm3  3  0.0000  0.0000  0.6253  1
  S  S4  9  0.0406  0.5203  0.7567  1
  S  S5  9  0.1757  0.3513  0.5801  1
  S  S6  3  0.0000  0.0000  0.2335  1
  S  S7  3  0.0000  0.0000  0.7574  1
]