data_[Mg4Cd2In16]
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 [C2/m]
_cell_length_a [20.1494]
_cell_length_b [4.5316]
_cell_length_c [6.6406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9214]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2CdIn8]
_chemical_formula_sum '[Mg4 Cd2 In16]'
_cell_volume [580.0901]
_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  4  0.1995  0.0000  0.6019  1.0
  Cd  Cd1  2  0.0000  0.5000  0.0000  1.0
  In  In2  4  0.0335  0.0000  0.3233  1.0
  In  In3  4  0.1087  0.5000  0.7509  1.0
  In  In4  4  0.1422  0.5000  0.2911  1.0
  In  In5  4  0.2078  0.0000  0.0849  1.0
]