data_[Mg2Cd1In1]
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 [P2/m]
_cell_length_a [5.2151]
_cell_length_b [3.2148]
_cell_length_c [5.9771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Mg2CdIn]
_chemical_formula_sum '[Mg2 Cd1 In1]'
_cell_volume [93.3704]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg1  1  0.0000  0.5000  0.5000  1.0
  Cd  Cd2  1  0.5000  0.5000  0.0000  1.0
  In  In3  1  0.5000  0.0000  0.5000  1.0
]