data_Li3Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59
_cell_length_b   4.68
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   99.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Ta
_chemical_formula_sum   'Li3 Ta1'
_cell_volume   69.76
_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  0.97  0.34  0.48  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Li  Li2  1  0.65  0.34  0.28  1.0
  Ta  Ta3  1  0.81  0.0  0.88  1.0

data_Li3Ta
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   4.68
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   99.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Ta
_chemical_formula_sum   'Li3 Ta1'
_cell_volume   69.76
_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  0.0  1.0
  Li  Li1  1  0.65  0.34  0.28  1.0
  Li  Li2  1  0.97  0.34  0.48  1.0
  Ta  Ta3  1  0.81  0.0  0.88  1.0

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