data_[K1Sc1Cd2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.4913]
_cell_length_b [8.6418]
_cell_length_c [6.8716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7199]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KSc(CdBr4)2]
_chemical_formula_sum '[K1 Sc1 Cd2 Br8]'
_cell_volume [385.4453]
_cell_formula_units_Z [1]
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
[
  K  K0  1  0.0000  0.5000  0.0000  1.0
  Sc  Sc1  1  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  2  0.5000  0.2495  0.5000  1.0
  Br  Br3  4  0.2416  0.2123  0.1596  1.0
  Br  Br4  2  0.2554  0.0000  0.6688  1.0
  Br  Br5  2  0.2643  0.5000  0.6186  1.0
]