data_LiTaSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   140.47
_cell_angle_beta   137.45
_cell_angle_gamma   59.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTaSb2
_chemical_formula_sum   'Li1 Ta1 Sb2'
_cell_volume   82.26
_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  0.52  1.0
  Ta  Ta3  1  0.95  0.0  0.93  1.0
  Sb  Sb1  1  0.95  0.0  0.02  1.0
  Sb  Sb2  1  0.0  0.0  0.59  1.0

data_LiTaSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   4.19
_cell_length_c   5.78
_cell_angle_alpha   111.28
_cell_angle_beta   109.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTaSb2
_chemical_formula_sum   'Li1 Ta1 Sb2'
_cell_volume   82.26
_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  0.48  0.48  0.48  1.0
  Ta  Ta1  1  0.03  0.07  0.03  1.0
  Sb  Sb2  1  0.41  0.41  0.41  1.0
  Sb  Sb3  1  0.94  0.98  0.94  1.0

Li Ta Sb Sb