data_[K2Mg2In2Br8]
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
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7580]
_cell_length_b [7.6814]
_cell_length_c [9.0911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0562]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KMgInBr4]
_chemical_formula_sum '[K2 Mg2 In2 Br8]'
_cell_volume [515.0760]
_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  0.2189  0.7500  0.5597  1.0
  Mg  Mg1  2  0.2393  0.2500  0.3003  1.0
  In  In2  2  0.2552  0.7500  0.0684  1.0
  Br  Br3  4  0.0172  0.5007  0.2445  1.0
  Br  Br4  2  0.4250  0.2500  0.5810  1.0
  Br  Br5  2  0.4291  0.2500  0.1232  1.0
]