data_BaLiTa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   2.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLiTa
_chemical_formula_sum   'Ba1 Li1 Ta1'
_cell_volume   76.31
_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  1.0  0.14  0.21  1.0
  Li  Li1  1  0.0  0.0  0.98  1.0
  Ta  Ta2  1  0.72  0.57  0.8  1.0

data_BaLiTa
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLiTa
_chemical_formula_sum   'Ba1 Li1 Ta1'
_cell_volume   76.31
_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  0.21  1.0  0.14  1.0
  Li  Li1  1  0.98  0.0  0.0  1.0
  Ta  Ta2  1  0.8  0.72  0.57  1.0

Ba Li Ta