data_BaTa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   9.37
_cell_angle_alpha   92.42
_cell_angle_beta   92.42
_cell_angle_gamma   40.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTa
_chemical_formula_sum   'Ba2 Ta2'
_cell_volume   145.51
_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
  Ba  Ba0  1  0.76  0.0  0.64  1.0
  Ba  Ba1  1  0.95  0.0  0.72  1.0
  Ta  Ta2  1  0.39  0.0  0.05  1.0
  Ta  Ta3  1  0.31  0.0  0.31  1.0

data_BaTa
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.41
_cell_length_b   4.87
_cell_length_c   9.37
_cell_angle_alpha   92.42
_cell_angle_beta   90.0
_cell_angle_gamma   110.48
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BaTa
_chemical_formula_sum   'Ba2 Ta2'
_cell_volume   145.51
_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
  Ba  Ba0  2  0.0  0.1  0.04  1.0
  Ta  Ta1  2  0.0  0.46  0.63  1.0

Ba Ba Ta Ta