data_[K2Mg1Zn1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.8012]
_cell_length_b [8.0383]
_cell_length_c [8.6307]
_cell_angle_alpha [116.2060]
_cell_angle_beta [93.0211]
_cell_angle_gamma [109.3934]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K2MgZnBr6]
_chemical_formula_sum '[K2 Mg1 Zn1 Br6]'
_cell_volume [388.0846]
_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  0.5139  0.9686  0.5171  1.0
  K  K1  1  0.8779  0.8821  0.0636  1.0
  Mg  Mg2  1  0.2632  0.4513  0.9756  1.0
  Zn  Zn3  1  0.7859  0.4405  0.2696  1.0
  Br  Br4  1  0.3459  0.8182  0.0949  1.0
  Br  Br5  1  0.3956  0.3637  0.2049  1.0
  Br  Br6  1  0.4523  0.3887  0.7342  1.0
  Br  Br7  1  0.8623  0.2652  0.9570  1.0
  Br  Br8  1  0.8926  0.2940  0.4267  1.0
  Br  Br9  1  0.9489  0.8045  0.4181  1.0
]