data_TaNb2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.01
_cell_angle_alpha   99.15
_cell_angle_beta   99.15
_cell_angle_gamma   33.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb2Ga
_chemical_formula_sum   'Ta1 Nb2 Ga1'
_cell_volume   70.88
_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  0.32  0.0  0.42  1.0
  Nb  Nb1  1  0.13  0.0  0.07  1.0
  Nb  Nb2  1  0.79  0.0  0.69  1.0
  Ga  Ga0  1  0.09  0.0  0.23  1.0

data_TaNb2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   5.01
_cell_length_c   5.08
_cell_angle_alpha   99.15
_cell_angle_beta   106.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb2Ga
_chemical_formula_sum   'Ta1 Nb2 Ga1'
_cell_volume   70.88
_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  0.42  0.32  1.0
  Nb  Nb1  1  0.0  0.07  0.13  1.0
  Nb  Nb2  1  0.0  0.69  0.79  1.0
  Ga  Ga3  1  0.0  0.23  0.09  1.0

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