data_[K4Mg4In8Cl20]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3318]
_cell_length_b [18.2026]
_cell_length_c [13.7056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [KMgIn2Cl5]
_chemical_formula_sum '[K4 Mg4 In8 Cl20]'
_cell_volume [1080.6911]
_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  0.2129  0.0140  1.0
  Mg  Mg1  4  0.0000  0.4840  0.4420  1.0
  In  In2  4  0.0000  0.1038  0.6887  1.0
  In  In3  4  0.0000  0.1549  0.3090  1.0
  Cl  Cl4  4  0.0000  0.0378  0.0248  1.0
  Cl  Cl5  4  0.0000  0.2735  0.6780  1.0
  Cl  Cl6  4  0.0000  0.3551  0.3784  1.0
  Cl  Cl7  4  0.0000  0.3865  0.0111  1.0
  Cl  Cl8  4  0.0000  0.4693  0.7780  1.0
]