data_TaGa2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   4.75
_cell_angle_alpha   107.28
_cell_angle_beta   107.28
_cell_angle_gamma   32.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGa2Pd
_chemical_formula_sum   'Ta1 Ga2 Pd1'
_cell_volume   64.55
_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  Ta3  1  0.08  0.0  0.81  1.0
  Ga  Ga0  1  0.71  0.0  0.3  1.0
  Ga  Ga1  1  0.5  0.0  0.12  1.0
  Pd  Pd2  1  0.17  0.0  0.55  1.0

data_TaGa2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.75
_cell_length_c   5.14
_cell_angle_alpha   107.28
_cell_angle_beta   106.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGa2Pd
_chemical_formula_sum   'Ta1 Ga2 Pd1'
_cell_volume   64.55
_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  Ta0  1  0.0  0.81  0.08  1.0
  Ga  Ga1  1  0.0  0.12  0.5  1.0
  Ga  Ga2  1  0.0  0.3  0.71  1.0
  Pd  Pd3  1  0.0  0.55  0.17  1.0

Ta Ga Ga Pd