data_Ba2SrTa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73
_cell_length_b   6.73
_cell_length_c   3.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SrTa
_chemical_formula_sum   'Ba2 Sr1 Ta1'
_cell_volume   163.14
_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  0.95  0.26  0.9  1.0
  Ba  Ba1  1  0.95  0.74  0.9  1.0
  Sr  Sr2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.9  0.0  0.0  1.0

data_Ba2SrTa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   6.73
_cell_length_c   6.73
_cell_angle_alpha   109.14
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SrTa
_chemical_formula_sum   'Ba2 Sr1 Ta1'
_cell_volume   163.14
_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  0.9  0.95  0.26  1.0
  Ba  Ba1  1  0.9  0.95  0.74  1.0
  Sr  Sr2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  -0.0  0.9  0.0  1.0

Ba Ba Sr Ta
Ba Ba Sr Ta 0 2 + o + 0 3 o o + 1 2 + + + 1 3 o + + 2 3 - o o 