data_LiTa2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa2Cl
_chemical_formula_sum   'Li1 Ta2 Cl1'
_cell_volume   71.64
_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  0.0  0.0  0.41  1.0
  Ta  Ta2  1  0.7  0.0  0.38  1.0
  Ta  Ta3  1  0.0  0.0  0.3  1.0
  Cl  Cl0  1  0.7  0.0  0.09  1.0

data_LiTa2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa2Cl
_chemical_formula_sum   'Li1 Ta2 Cl1'
_cell_volume   71.64
_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  0.41  1.0
  Ta  Ta1  1  0.0  0.0  0.3  1.0
  Ta  Ta2  1  0.7  0.0  0.38  1.0
  Cl  Cl3  1  0.7  0.0  0.09  1.0

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