data_[K4Mg8In12]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [12.1013]
_cell_length_b [9.8285]
_cell_length_c [6.0739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KMg2In3]
_chemical_formula_sum '[K4 Mg8 In12]'
_cell_volume [722.4111]
_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  0.3299  0.2500  1.0
  Mg  Mg1  8  0.2183  0.0000  0.0000  1.0
  In  In2  8  0.1864  0.2694  0.7500  1.0
  In  In3  4  0.0000  0.0642  0.7500  1.0
]