data_[K4Mg8In4Br24]
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 [C2/c]
_cell_length_a [14.7660]
_cell_length_b [14.0699]
_cell_length_c [7.6115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9475]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KMg2InBr6]
_chemical_formula_sum '[K4 Mg8 In4 Br24]'
_cell_volume [1552.5529]
_cell_formula_units_Z [4]
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  0.0000  0.2915  0.2500  1.0
  Mg  Mg1  8  0.2059  0.4136  0.7781  1.0
  In  In2  4  0.0000  0.0994  0.7500  1.0
  Br  Br3  8  0.1224  0.0938  0.1635  1.0
  Br  Br4  8  0.1335  0.2650  0.6441  1.0
  Br  Br5  8  0.1428  0.4475  0.0672  1.0
]