data_LiTa2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   135.3
_cell_angle_beta   135.3
_cell_angle_gamma   65.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa2Cl
_chemical_formula_sum   'Li1 Ta2 Cl1'
_cell_volume   66.8
_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  0.0  1.0
  Ta  Ta2  1  0.96  0.0  0.17  1.0
  Ta  Ta3  1  0.0  0.0  0.35  1.0
  Cl  Cl0  1  0.0  0.96  0.17  1.0

data_LiTa2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   5.16
_cell_angle_alpha   112.35
_cell_angle_beta   112.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa2Cl
_chemical_formula_sum   'Li1 Ta2 Cl1'
_cell_volume   66.8
_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
  Ta  Ta1  1  0.65  0.0  0.65  1.0
  Ta  Ta2  1  0.83  0.0  0.79  1.0
  Cl  Cl3  1  0.79  0.96  0.79  1.0

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