data_TaGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   4.82
_cell_angle_alpha   101.64
_cell_angle_beta   101.64
_cell_angle_gamma   31.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGa
_chemical_formula_sum   'Ta2 Ga2'
_cell_volume   67.25
_cell_formula_units_Z   2
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  0.22  0.0  0.11  1.0
  Ta  Ta3  1  0.79  0.0  0.6  1.0
  Ga  Ga0  1  0.48  0.0  0.0  1.0
  Ga  Ga1  1  0.52  0.0  0.71  1.0

data_TaGa
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.85
_cell_length_b   4.82
_cell_length_c   5.21
_cell_angle_alpha   101.64
_cell_angle_beta   105.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaGa
_chemical_formula_sum   'Ta2 Ga2'
_cell_volume   67.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
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  0.24  0.79  1.0
  Ga  Ga1  2  0.0  0.35  0.52  1.0

Ta Ta Ga Ga
Ta Ta Ga Ga 0 2 o o o 1 3 o o o 2 3 o o - 