data_TaSbPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   6.35
_cell_angle_alpha   151.72
_cell_angle_beta   151.72
_cell_angle_gamma   40.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSbPd
_chemical_formula_sum   'Ta1 Sb1 Pd1'
_cell_volume   57.38
_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
  Ta  Ta2  1  0.0  0.0  0.09  1.0
  Sb  Sb1  1  0.0  0.0  0.96  1.0
  Pd  Pd0  1  0.0  0.0  0.79  1.0

data_TaSbPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   110.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaSbPd
_chemical_formula_sum   'Ta2 Sb2 Pd2'
_cell_volume   114.76
_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
  Ta  Ta0  2  0.0  0.0  0.91  1.0
  Sb  Sb1  2  0.0  0.0  0.04  1.0
  Pd  Pd2  2  0.0  0.0  0.21  1.0

Ta Sb Pd
Ta Sb Pd 0 1 o o - 1 2 o o o 