data_[Rb3Pr3Tm12S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.1548]
_cell_length_b [8.1548]
_cell_length_c [20.7133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [RbPr(TmS2)4]
_chemical_formula_sum '[Rb3 Pr3 Tm12 S24]'
_cell_volume [1192.9076]
_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
[
  Rb  Rb0  3  0.0000  0.0000  0.3681  1
  Pr  Pr1  3  0.0000  0.0000  0.0053  1
  Tm  Tm2  9  0.1723  0.3445  0.8317  1
  Tm  Tm3  3  0.0000  0.0000  0.6255  1
  S  S4  9  0.0413  0.5207  0.7617  1
  S  S5  9  0.1729  0.3457  0.5786  1
  S  S6  3  0.0000  0.0000  0.2284  1
  S  S7  3  0.0000  0.0000  0.7567  1
]