data_[K2Yb2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Yb  1.1000  1.7500  1.0840
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.0599]
_cell_length_b [8.0597]
_cell_length_c [5.7221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2493]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KYbBr3]
_chemical_formula_sum '[K2 Yb2 Br6]'
_cell_volume [371.7112]
_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
[
  K  K0  2  0.4942  0.5000  0.0918  1.0
  Yb  Yb1  2  0.4998  0.0000  0.4744  1.0
  Br  Br2  4  0.2496  0.7517  0.4518  1.0
  Br  Br3  2  0.0028  0.5000  0.9705  1.0
]