data_[La12Mg4Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [12.5617]
_cell_length_b [5.6065]
_cell_length_c [9.2728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9495]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3MgCd]
_chemical_formula_sum '[La12 Mg4 Cd4]'
_cell_volume [649.5389]
_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
[
  La  La0  4  0.0895  0.0000  0.8494  1.0
  La  La1  4  0.1043  0.5000  0.1635  1.0
  La  La2  4  0.1479  0.0000  0.4614  1.0
  Mg  Mg3  4  0.2391  0.5000  0.8600  1.0
  Cd  Cd4  4  0.0830  0.5000  0.6149  1.0
]