data_[Tb12Pr3Sm3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.1500]
_cell_length_b [8.1500]
_cell_length_c [20.0783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tb4PrSmS8]
_chemical_formula_sum '[Tb12 Pr3 Sm3 S24]'
_cell_volume [1154.9701]
_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
[
  Tb  Tb0  9  0.0021  0.5010  0.5004  1
  Tb  Tb1  3  0.0000  0.0000  0.6255  1
  Pr  Pr2  3  0.0000  0.0000  0.3742  1
  Sm  Sm3  3  0.0000  0.0000  0.9993  1
  S  S4  9  0.0266  0.5133  0.7554  1
  S  S5  9  0.1743  0.3485  0.5794  1
  S  S6  3  0.0000  0.0000  0.2381  1
  S  S7  3  0.0000  0.0000  0.7575  1
]