data_[Rb6Pr2Sc4S12]
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
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9343]
_cell_length_b [12.0105]
_cell_length_c [8.0006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Pr(ScS3)2]
_chemical_formula_sum '[Rb6 Pr2 Sc4 S12]'
_cell_volume [637.6748]
_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  0.1633  0.5000  1.0
  Rb  Rb1  2  0.0000  0.5000  0.5000  1.0
  Pr  Pr2  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc3  4  0.0000  0.3330  0.0000  1.0
  S  S4  8  0.2407  0.1779  0.1879  1.0
  S  S5  4  0.2066  0.5000  0.1869  1.0
]