data_BaLi2Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   5.44
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLi2Ta
_chemical_formula_sum   'Ba1 Li2 Ta1'
_cell_volume   98.98
_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  0.61  0.0  0.82  1.0
  Li  Li1  1  0.61  0.72  0.0  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.0  0.72  0.82  1.0

data_BaLi2Ta
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.44
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLi2Ta
_chemical_formula_sum   'Ba1 Li2 Ta1'
_cell_volume   98.98
_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  0.61  0.0  0.82  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Li  Li2  1  0.61  0.72  0.0  1.0
  Ta  Ta3  1  0.0  0.72  0.82  1.0

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