data_[Mg2Cd4In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.8973]
_cell_length_b [3.2172]
_cell_length_c [10.2609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgCd2In]
_chemical_formula_sum '[Mg2 Cd4 In2]'
_cell_volume [191.5641]
_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
[
  Mg  Mg0  2  0.1664  0.5000  0.9998  1.0
  Cd  Cd1  2  0.0583  0.0000  0.2386  1.0
  Cd  Cd2  2  0.2746  0.0000  0.7607  1.0
  In  In3  2  0.0008  0.5000  0.5009  1.0
]