data_[La4Tl4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4238]
_cell_length_b [4.6429]
_cell_length_c [7.4957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8475]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaTlPd]
_chemical_formula_sum '[La4 Tl4 Pd4]'
_cell_volume [304.7656]
_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  0.0646  0.5000  0.3231  1
  Tl  Tl1  4  0.1787  0.0000  0.0918  1
  Pd  Pd2  4  0.1486  0.0000  0.6724  1
]