data_La2TaPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.3
_cell_length_b   10.3
_cell_length_c   10.3
_cell_angle_alpha   18.79
_cell_angle_beta   18.79
_cell_angle_gamma   18.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaPd
_chemical_formula_sum   'La2 Ta1 Pd1'
_cell_volume   99.13
_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  0.09  1.0
  La  La1  1  0.0  0.0  0.07  1.0
  Ta  Ta3  1  0.0  0.0  0.23  1.0
  Pd  Pd2  1  0.0  0.0  0.5  1.0

data_La2TaPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.83
_cell_length_b   3.36
_cell_length_c   10.3
_cell_angle_alpha   90.0
_cell_angle_beta   100.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2TaPd
_chemical_formula_sum   'La4 Ta2 Pd2'
_cell_volume   198.25
_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  0.91  1.0
  La  La1  2  0.0  0.0  0.93  1.0
  Ta  Ta2  2  0.0  0.0  0.77  1.0
  Pd  Pd3  2  0.0  0.0  0.5  1.0

La La Ta Pd