data_[K2Rb1Zr1Br8]
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
  Zr  1.3300  1.5500  0.8600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.3690]
_cell_length_b [10.1321]
_cell_length_c [7.5870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2RbZrBr8]
_chemical_formula_sum '[K2 Rb1 Zr1 Br8]'
_cell_volume [489.5812]
_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  2  0.5000  0.2213  0.5000  1.0
  Rb  Rb1  1  0.0000  0.5000  0.0000  1.0
  Zr  Zr2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.2439  0.1906  0.8772  1.0
  Br  Br4  2  0.2094  0.0000  0.3026  1.0
  Br  Br5  2  0.2372  0.5000  0.4897  1.0
]