data_Ba2TaTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   9.02
_cell_angle_alpha   93.1
_cell_angle_beta   93.1
_cell_angle_gamma   40.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TaTi
_chemical_formula_sum   'Ba2 Ta1 Ti1'
_cell_volume   139.0
_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  0.03  0.0  0.66  1.0
  Ba  Ba1  1  0.86  0.0  0.09  1.0
  Ta  Ta2  1  0.27  0.0  0.65  1.0
  Ti  Ti3  1  0.72  0.0  0.11  1.0

data_Ba2TaTi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.86
_cell_length_c   9.02
_cell_angle_alpha   93.1
_cell_angle_beta   90.0
_cell_angle_gamma   110.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TaTi
_chemical_formula_sum   'Ba2 Ta1 Ti1'
_cell_volume   139.0
_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  0.14  0.91  1.0
  Ba  Ba1  1  0.0  0.97  0.34  1.0
  Ta  Ta2  1  0.0  0.73  0.35  1.0
  Ti  Ti3  1  0.0  0.28  0.89  1.0

Ba Ba Ta Ti