data_BaSrTa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.06
_cell_length_b   12.06
_cell_length_c   12.06
_cell_angle_alpha   15.32
_cell_angle_beta   15.32
_cell_angle_gamma   15.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrTa2
_chemical_formula_sum   'Ba1 Sr1 Ta2'
_cell_volume   106.5
_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  0.87  1.0
  Sr  Sr1  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.0  0.0  0.02  1.0
  Ta  Ta3  1  0.0  0.0  0.71  1.0

data_BaSrTa2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.57
_cell_length_b   3.21
_cell_length_c   12.06
_cell_angle_alpha   90.0
_cell_angle_beta   98.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaSrTa2
_chemical_formula_sum   'Ba2 Sr2 Ta4'
_cell_volume   212.99
_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  0.13  1.0
  Sr  Sr1  2  0.0  0.0  0.0  1.0
  Ta  Ta2  2  0.0  0.0  0.29  1.0
  Ta  Ta3  2  0.0  0.0  0.98  1.0

Ba Sr Ta Ta