data_Li2TaCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   5.31
_cell_angle_alpha   113.41
_cell_angle_beta   113.41
_cell_angle_gamma   34.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TaCl
_chemical_formula_sum   'Li2 Ta1 Cl1'
_cell_volume   65.36
_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  Li1  1  0.76  0.0  0.15  1.0
  Li  Li2  1  0.32  0.0  0.12  1.0
  Ta  Ta3  1  0.7  0.0  0.95  1.0
  Cl  Cl0  1  0.22  0.0  0.01  1.0

data_Li2TaCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.88
_cell_length_c   5.31
_cell_angle_alpha   113.41
_cell_angle_beta   90.0
_cell_angle_gamma   107.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TaCl
_chemical_formula_sum   'Li2 Ta1 Cl1'
_cell_volume   65.36
_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  0.24  0.85  1.0
  Li  Li1  1  0.0  0.68  0.88  1.0
  Ta  Ta2  1  0.0  0.3  0.05  1.0
  Cl  Cl3  1  0.0  0.78  0.99  1.0

Li Li Ta Cl