data_LiTa2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   9.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa2Sn
_chemical_formula_sum   'Li1 Ta2 Sn1'
_cell_volume   78.11
_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
  Li  Li0  1  0.0  0.0  0.63  1.0
  Ta  Ta2  1  0.0  0.0  0.23  1.0
  Ta  Ta3  1  0.73  0.0  0.08  1.0
  Sn  Sn1  1  0.73  0.0  0.32  1.0

data_LiTa2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   9.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa2Sn
_chemical_formula_sum   'Li1 Ta2 Sn1'
_cell_volume   78.11
_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
  Li  Li0  1  0.0  0.0  0.63  1.0
  Ta  Ta1  1  0.0  0.0  0.23  1.0
  Ta  Ta2  1  0.73  0.0  0.08  1.0
  Sn  Sn3  1  0.73  0.0  0.32  1.0

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