data_[K2Mg2In2]
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 [P-1]
_cell_length_a [4.4455]
_cell_length_b [5.5230]
_cell_length_c [9.3425]
_cell_angle_alpha [76.8730]
_cell_angle_beta [89.6667]
_cell_angle_gamma [67.6553]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KMgIn]
_chemical_formula_sum '[K2 Mg2 In2]'
_cell_volume [205.7880]
_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  0.1824  0.1624  0.1309  1.0
  Mg  Mg1  2  0.3670  0.7638  0.5615  1.0
  In  In2  2  0.0952  0.3128  0.6630  1.0
]