data_BaTaGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65
_cell_length_b   6.65
_cell_length_c   6.65
_cell_angle_alpha   151.68
_cell_angle_beta   144.78
_cell_angle_gamma   45.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTaGa
_chemical_formula_sum   'Ba1 Ta1 Ga1'
_cell_volume   80.08
_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
  Ba  Ba0  1  0.0  0.0  0.01  1.0
  Ta  Ta2  1  0.0  0.0  0.46  1.0
  Ga  Ga1  1  0.0  0.0  0.78  1.0

data_BaTaGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.02
_cell_length_c   6.65
_cell_angle_alpha   107.61
_cell_angle_beta   104.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTaGa
_chemical_formula_sum   'Ba1 Ta1 Ga1'
_cell_volume   80.08
_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
  Ba  Ba0  1  0.0  0.01  0.01  1.0
  Ta  Ta1  1  0.0  0.46  0.46  1.0
  Ga  Ga2  1  0.0  0.78  0.78  1.0

Ba Ta Ga