data_[Mg4Cd4Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.0740]
_cell_length_b [3.3437]
_cell_length_c [8.8373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7969]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgCdSn]
_chemical_formula_sum '[Mg4 Cd4 Sn4]'
_cell_volume [289.4651]
_cell_formula_units_Z [4]
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  0.1160  0.5000  0.9163  1.0
  Mg  Mg1  2  0.4626  0.5000  0.1026  1.0
  Cd  Cd2  2  0.1240  0.5000  0.4352  1.0
  Cd  Cd3  2  0.2905  0.0000  0.7818  1.0
  Sn  Sn4  2  0.2851  0.0000  0.2388  1.0
  Sn  Sn5  2  0.4466  0.5000  0.5954  1.0
]