data_Ba3Ta2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.41
_cell_length_b   15.41
_cell_length_c   15.41
_cell_angle_alpha   12.87
_cell_angle_beta   12.87
_cell_angle_gamma   12.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Ta2
_chemical_formula_sum   'Ba3 Ta2'
_cell_volume   157.8
_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  0.0  1.0
  Ba  Ba1  1  0.0  0.0  0.65  1.0
  Ba  Ba2  1  0.0  0.0  0.18  1.0
  Ta  Ta3  1  0.0  0.0  0.68  1.0
  Ta  Ta4  1  0.0  0.0  0.15  1.0

data_Ba3Ta2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.98
_cell_length_b   3.45
_cell_length_c   15.41
_cell_angle_alpha   90.0
_cell_angle_beta   97.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba3Ta2
_chemical_formula_sum   'Ba6 Ta4'
_cell_volume   315.61
_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  0.0  1.0
  Ba  Ba1  2  0.0  0.0  0.35  1.0
  Ba  Ba2  2  0.0  0.0  0.82  1.0
  Ta  Ta3  2  0.0  0.0  0.32  1.0
  Ta  Ta4  2  0.0  0.0  0.85  1.0

Ba Ba Ba Ta Ta