data_[La4Mg8Cd12]
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 [Cmcm]
_cell_length_a [10.8376]
_cell_length_b [9.0608]
_cell_length_c [6.2327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LaMg2Cd3]
_chemical_formula_sum '[La4 Mg8 Cd12]'
_cell_volume [612.0333]
_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  0.0000  0.3392  0.2500  1
  Mg  Mg1  8  0.2227  0.0000  0.0000  1
  Cd  Cd2  8  0.1468  0.2906  0.7500  1
  Cd  Cd3  4  0.0000  0.0264  0.7500  1
]