data_[K1Er1Cd2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Er  1.2400  1.7500  1.0300
  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 [6.5929]
_cell_length_b [8.7215]
_cell_length_c [6.9304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5280]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KEr(CdBr4)2]
_chemical_formula_sum '[K1 Er1 Cd2 Br8]'
_cell_volume [398.4795]
_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
  Er  Er1  1  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  2  0.5000  0.2552  0.5000  1.0
  Br  Br3  4  0.2507  0.2205  0.1651  1.0
  Br  Br4  2  0.2605  0.0000  0.6655  1.0
  Br  Br5  2  0.2670  0.5000  0.6243  1.0
]