data_LiTaPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17
_cell_length_b   6.99
_cell_length_c   2.76
_cell_angle_alpha   82.4
_cell_angle_beta   75.13
_cell_angle_gamma   22.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTaPd
_chemical_formula_sum   'Li1 Ta1 Pd1'
_cell_volume   49.08
_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
  Li  Li0  1  0.6  0.26  0.47  1.0
  Ta  Ta2  1  0.6  0.26  0.18  1.0
  Pd  Pd1  1  0.6  0.26  0.57  1.0

data_LiTaPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.2
_cell_length_b   13.61
_cell_length_c   2.76
_cell_angle_alpha   90.0
_cell_angle_beta   125.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiTaPd
_chemical_formula_sum   'Li2 Ta2 Pd2'
_cell_volume   98.17
_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
  Li  Li0  2  0.1  0.5  0.07  1.0
  Ta  Ta1  2  0.1  0.5  0.78  1.0
  Pd  Pd2  2  0.1  0.5  0.17  1.0

Li Ta Pd