data_[La2Th1Ga3Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Th  1.3000  1.8000  1.0800
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4919]
_cell_length_b [4.4919]
_cell_length_c [10.9194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [La2ThGa3Pd4]
_chemical_formula_sum '[La2 Th1 Ga3 Pd4]'
_cell_volume [220.3267]
_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  0.0000  0.5000  0.7768  1
  Th  Th1  1  0.5000  0.5000  0.5000  1
  Ga  Ga2  2  0.0000  0.5000  0.1125  1
  Ga  Ga3  1  0.0000  0.0000  0.5000  1
  Pd  Pd4  2  0.0000  0.5000  0.3423  1
  Pd  Pd5  1  0.0000  0.0000  0.0000  1
  Pd  Pd6  1  0.5000  0.5000  0.0000  1
]