data_[K6Tb2Pm4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tb  1.1000  1.7500  0.9815
  Pm  1.1300  1.8500  1.1100
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1606]
_cell_length_b [12.4019]
_cell_length_c [7.7640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9128]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Tb(PmS3)2]
_chemical_formula_sum '[K6 Tb2 Pm4 S12]'
_cell_volume [656.0612]
_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  0.1672  0.5000  1
  K  K1  2  0.0000  0.5000  0.5000  1
  Tb  Tb2  2  0.0000  0.0000  0.0000  1
  Pm  Pm3  4  0.0000  0.3334  0.0000  1
  S  S4  8  0.2323  0.1640  0.2050  1
  S  S5  4  0.2404  0.5000  0.2049  1
]