data_[La2Tl1In1Pd4]
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
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.7207]
_cell_length_b [4.7207]
_cell_length_c [9.2421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [La2TlInPd4]
_chemical_formula_sum '[La2 Tl1 In1 Pd4]'
_cell_volume [178.3687]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.7501  1
  Tl  Tl1  1  0.0000  0.0000  0.5000  1
  In  In2  1  0.0000  0.0000  0.0000  1
  Pd  Pd3  2  0.3333  0.6667  0.0829  1
  Pd  Pd4  2  0.3333  0.6667  0.4109  1
]