data_[Pr3Sm12Tm3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.2126]
_cell_length_b [8.2126]
_cell_length_c [20.1781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PrSm4TmS8]
_chemical_formula_sum '[Pr3 Sm12 Tm3 S24]'
_cell_volume [1178.6134]
_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
[
  Pr  Pr0  3  0.0000  0.0000  0.0014  1
  Sm  Sm1  9  0.1684  0.3369  0.8328  1
  Sm  Sm2  3  0.0000  0.0000  0.6253  1
  Tm  Tm3  3  0.0000  0.0000  0.3747  1
  S  S4  9  0.0057  0.5029  0.7530  1
  S  S5  9  0.1756  0.3512  0.5789  1
  S  S6  3  0.0000  0.0000  0.2460  1
  S  S7  3  0.0000  0.0000  0.7585  1
]