data_Ba2SrTa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   10.58
_cell_angle_alpha   90.0
_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   173.6
_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  0.88  1.0
  Ba  Ba1  1  0.03  0.03  0.71  1.0
  Sr  Sr2  1  0.0  0.0  0.99  1.0
  Ta  Ta3  1  0.03  0.03  0.87  1.0

data_Ba2SrTa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   10.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2SrTa
_chemical_formula_sum   'Ba4 Sr2 Ta2'
_cell_volume   347.19
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.88  1.0
  Ba  Ba1  2  0.03  0.0  0.71  1.0
  Sr  Sr2  2  0.0  0.0  0.99  1.0
  Ta  Ta3  2  0.03  0.0  0.87  1.0

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