data_[La4Cu2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9020]
_cell_length_b [5.7764]
_cell_length_c [6.2392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9460]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2CuPd6]
_chemical_formula_sum '[La4 Cu2 Pd12]'
_cell_volume [346.3439]
_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
[
  La  La0  4  0.1412  0.5000  0.8269  1
  Cu  Cu1  2  0.0000  0.0000  0.0000  1
  Pd  Pd2  8  0.1317  0.2580  0.3171  1
  Pd  Pd3  4  0.1232  0.0000  0.6899  1
]