data_[K2Mg12In12]
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 [Immm]
_cell_length_a [6.1872]
_cell_length_b [10.1196]
_cell_length_c [10.6751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [K(MgIn)6]
_chemical_formula_sum '[K2 Mg12 In12]'
_cell_volume [668.3938]
_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  0.0000  0.0000  0.0000  1.0
  Mg  Mg1  8  0.2500  0.2500  0.2500  1.0
  Mg  Mg2  4  0.0000  0.2640  0.5000  1.0
  In  In3  4  0.0000  0.0000  0.3470  1.0
  In  In4  4  0.0000  0.3507  0.0000  1.0
  In  In5  4  0.0000  0.5000  0.3096  1.0
]