data_[K2Mg2I4Br2]
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
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9036]
_cell_length_b [4.4294]
_cell_length_c [10.5112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2489]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KMgI2Br]
_chemical_formula_sum '[K2 Mg2 I4 Br2]'
_cell_volume [397.9778]
_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  0.3066  0.2500  0.5835  1
  Mg  Mg1  2  0.1381  0.2500  0.1643  1
  I  I2  2  0.0573  0.7500  0.3341  1
  I  I3  2  0.1916  0.7500  0.9908  1
  Br  Br4  2  0.4264  0.2500  0.3073  1
]