data_Ba2SrTa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98
_cell_length_b   7.98
_cell_length_c   7.98
_cell_angle_alpha   153.1
_cell_angle_beta   132.3
_cell_angle_gamma   55.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SrTa
_chemical_formula_sum   'Ba2 Sr1 Ta1'
_cell_volume   169.1
_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  0.28  1.0
  Ba  Ba1  1  0.0  0.23  0.49  1.0
  Sr  Sr2  1  0.0  0.0  0.81  1.0
  Ta  Ta3  1  0.86  0.0  0.54  1.0

data_Ba2SrTa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   6.45
_cell_length_c   7.98
_cell_angle_alpha   113.85
_cell_angle_beta   103.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SrTa
_chemical_formula_sum   'Ba2 Sr1 Ta1'
_cell_volume   169.1
_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  0.51  0.74  0.74  1.0
  Ba  Ba1  1  0.72  0.72  0.72  1.0
  Sr  Sr2  1  0.19  0.19  0.19  1.0
  Ta  Ta3  1  0.32  0.46  0.32  1.0

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