data_[K4Ba2Mg2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8015]
_cell_length_b [8.1912]
_cell_length_c [13.5559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2585]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2BaMgBr6]
_chemical_formula_sum '[K4 Ba2 Mg2 Br12]'
_cell_volume [715.9844]
_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  4  0.2195  0.5754  0.7474  1
  Ba  Ba1  2  0.5000  0.0000  0.0000  1
  Mg  Mg2  2  0.0000  0.0000  0.5000  1
  Br  Br3  4  0.1052  0.7204  0.4338  1
  Br  Br4  4  0.2218  0.1791  0.4417  1
  Br  Br5  4  0.3445  0.5406  0.2249  1
]