data_Li3Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   4.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Ta
_chemical_formula_sum   'Li6 Ta2'
_cell_volume   118.7
_cell_formula_units_Z   2
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
  Li  Li0  1  0.0  0.57  0.3  1.0
  Li  Li1  1  0.43  0.05  0.3  1.0
  Li  Li2  1  0.57  0.05  0.3  1.0
  Li  Li3  1  0.79  0.27  0.1  1.0
  Li  Li4  1  0.36  0.78  0.1  1.0
  Li  Li5  1  0.23  0.78  0.1  1.0
  Ta  Ta6  1  0.0  0.22  0.1  1.0
  Ta  Ta7  1  0.79  0.61  0.3  1.0

data_Li3Ta
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.4
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Li3Ta
_chemical_formula_sum   'Li6 Ta2'
_cell_volume   118.7
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Li  Li0  2  0.1  0.04  0.63  1.0
  Li  Li1  2  0.1  0.17  0.63  1.0
  Li  Li2  2  0.1  0.6  0.15  1.0
  Ta  Ta3  2  0.1  0.4  0.19  1.0

Li Li Li Li Li Li Ta Ta