data_[K10Mg2In12]
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 [C2/m]
_cell_length_a [6.7017]
_cell_length_b [11.6261]
_cell_length_c [11.3377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3736]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K5MgIn6]
_chemical_formula_sum '[K10 Mg2 In12]'
_cell_volume [866.0137]
_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  4  0.0000  0.1762  0.5000  1
  K  K1  4  0.0000  0.3341  0.0000  1
  K  K2  2  0.0000  0.5000  0.5000  1
  Mg  Mg3  2  0.0000  0.0000  0.0000  1
  In  In4  8  0.2147  0.1395  0.2340  1
  In  In5  4  0.2012  0.0000  0.7630  1
]