data_[Mg8Cd18In22]
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 [Cmmm]
_cell_length_a [15.0329]
_cell_length_b [23.9848]
_cell_length_c [3.3142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Mg4Cd9In11]
_chemical_formula_sum '[Mg8 Cd18 In22]'
_cell_volume [1194.9662]
_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  8  0.1686  0.4056  0.5000  1
  Cd  Cd1  8  0.1016  0.2784  0.5000  1
  Cd  Cd2  8  0.1164  0.0871  0.5000  1
  Cd  Cd3  2  0.0000  0.5000  0.5000  1
  In  In4  8  0.2187  0.1857  0.0000  1
  In  In5  4  0.0000  0.1773  0.0000  1
  In  In6  4  0.0000  0.3821  0.0000  1
  In  In7  4  0.2405  0.0000  0.0000  1
  In  In8  2  0.0000  0.0000  0.0000  1
]