data_[K2Rb4Sc2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [Pmmn]
_cell_length_a [7.4477]
_cell_length_b [10.9807]
_cell_length_c [8.3028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [KRb2ScCl6]
_chemical_formula_sum '[K2 Rb4 Sc2 Cl12]'
_cell_volume [679.0089]
_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  0.2832  0.8091  1.0
  K  K1  2  0.0000  0.5000  0.2957  1.0
  Sc  Sc2  2  0.0000  0.0000  0.2123  1.0
  Cl  Cl3  4  0.0000  0.2282  0.2094  1.0
  Cl  Cl4  4  0.2321  0.0000  0.9903  1.0
  Cl  Cl5  4  0.2450  0.0000  0.4151  1.0
]