data_[La8Pd2Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P4/mcc]
_cell_length_a [7.2448]
_cell_length_b [7.2448]
_cell_length_c [6.7163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [124]
_chemical_formula_structural [La4PdPt]
_chemical_formula_sum '[La8 Pd2 Pt2]'
_cell_volume [352.5222]
_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  8  0.1830  0.3222  0.5000  1
  Pd  Pd1  2  0.0000  0.0000  0.2500  1
  Pt  Pt2  2  0.5000  0.5000  0.2500  1
]