data_[K8Mg4In4Br20]
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 [Cmc2_1]
_cell_length_a [4.2545]
_cell_length_b [19.3166]
_cell_length_c [15.6642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2MgInBr5]
_chemical_formula_sum '[K8 Mg4 In4 Br20]'
_cell_volume [1287.3243]
_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  0.0670  0.6376  1.0
  K  K1  4  0.0000  0.1369  0.2981  1.0
  Mg  Mg2  4  0.0000  0.2452  0.0388  1.0
  In  In3  4  0.0000  0.4395  0.4451  1.0
  Br  Br4  4  0.0000  0.1118  0.0800  1.0
  Br  Br5  4  0.0000  0.2364  0.6538  1.0
  Br  Br6  4  0.0000  0.2803  0.4220  1.0
  Br  Br7  4  0.0000  0.3758  0.9881  1.0
  Br  Br8  4  0.0000  0.4917  0.7605  1.0
]