data_[Rb6Sc2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sc  1.3600  1.6000  0.8850
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6502]
_cell_length_b [8.0536]
_cell_length_c [13.3196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7497]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb3ScCl6]
_chemical_formula_sum '[Rb6 Sc2 Cl12]'
_cell_volume [674.2829]
_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  0.2765  0.0667  0.7531  1.0
  Rb  Rb1  2  0.5000  0.0000  0.5000  1.0
  Sc  Sc2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.1081  0.0416  0.2153  1.0
  Cl  Cl4  4  0.2254  0.7403  0.0641  1.0
  Cl  Cl5  4  0.3129  0.1716  0.0472  1.0
]