data_[Y12Mg4Cd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5981]
_cell_length_b [10.3979]
_cell_length_c [6.9596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0694]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3MgCd3]
_chemical_formula_sum '[Y12 Mg4 Cd12]'
_cell_volume [766.4282]
_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
[
  Y  Y0  8  0.2416  0.2032  0.7524  1
  Y  Y1  4  0.0713  0.0000  0.2568  1
  Mg  Mg2  4  0.1356  0.5000  0.9292  1
  Cd  Cd3  4  0.0000  0.2505  0.0000  1
  Cd  Cd4  4  0.0000  0.2591  0.5000  1
  Cd  Cd5  4  0.1543  0.5000  0.5263  1
]