data_[Rb6Tb4Pr2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1921]
_cell_length_b [12.4573]
_cell_length_c [8.0720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2865]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Tb2PrS6]
_chemical_formula_sum '[Rb6 Tb4 Pr2 S12]'
_cell_volume [690.5335]
_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
[
  Rb  Rb0  4  0.0000  0.1656  0.5000  1.0
  Rb  Rb1  2  0.0000  0.5000  0.5000  1.0
  Tb  Tb2  4  0.0000  0.3332  0.0000  1.0
  Pr  Pr3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2360  0.1712  0.1945  1.0
  S  S5  4  0.2224  0.5000  0.1942  1.0
]