data_[Ca4La2Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9305]
_cell_length_b [3.7802]
_cell_length_c [14.5193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7960]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca2LaCd2]
_chemical_formula_sum '[Ca4 La2 Cd4]'
_cell_volume [324.3589]
_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
[
  Ca  Ca0  2  0.1677  0.2500  0.1162  1
  Ca  Ca1  2  0.2545  0.7500  0.5233  1
  La  La2  2  0.3039  0.2500  0.7503  1
  Cd  Cd3  2  0.2202  0.2500  0.3382  1
  Cd  Cd4  2  0.3427  0.7500  0.9446  1
]