data_[K1Na2Re1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Re  1.9000  1.3500  0.7125
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.3782]
_cell_length_b [9.4671]
_cell_length_c [6.6727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3432]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KNa2ReBr8]
_chemical_formula_sum '[K1 Na2 Re1 Br8]'
_cell_volume [401.1675]
_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
  Na  Na1  2  0.5000  0.2390  0.5000  1.0
  Re  Re2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.2270  0.1903  0.8694  1.0
  Br  Br4  2  0.2273  0.0000  0.3309  1.0
  Br  Br5  2  0.2456  0.5000  0.4852  1.0
]