data_Ba2SrTa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   6.54
_cell_angle_alpha   128.91
_cell_angle_beta   128.91
_cell_angle_gamma   75.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SrTa
_chemical_formula_sum   'Ba2 Sr1 Ta1'
_cell_volume   165.14
_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  0.0  0.0  0.19  1.0
  Ba  Ba1  1  0.0  0.82  0.59  1.0
  Sr  Sr2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.82  0.0  0.59  1.0

data_Ba2SrTa
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   6.54
_cell_angle_alpha   115.54
_cell_angle_beta   115.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SrTa
_chemical_formula_sum   'Ba2 Sr1 Ta1'
_cell_volume   165.14
_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  0.19  0.19  0.19  1.0
  Ba  Ba1  1  0.77  0.59  0.77  1.0
  Sr  Sr2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.59  0.77  0.77  1.0

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