data_La2TaPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.1
_cell_length_b   10.1
_cell_length_c   10.1
_cell_angle_alpha   19.46
_cell_angle_beta   19.46
_cell_angle_gamma   19.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaPd
_chemical_formula_sum   'La2 Ta1 Pd1'
_cell_volume   100.06
_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  1  0.0  0.0  0.17  1.0
  La  La1  1  0.0  0.0  0.55  1.0
  Ta  Ta3  1  0.0  0.0  0.86  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_La2TaPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.91
_cell_length_b   3.41
_cell_length_c   10.1
_cell_angle_alpha   90.0
_cell_angle_beta   101.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2TaPd
_chemical_formula_sum   'La4 Ta2 Pd2'
_cell_volume   200.12
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.45  1.0
  La  La1  2  0.0  0.0  0.83  1.0
  Ta  Ta2  2  0.0  0.0  0.14  1.0
  Pd  Pd3  2  0.0  0.0  0.0  1.0

La La Ta Pd
La La Ta Pd 0 3 o o o 0 1 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 2 3 o o + 