data_TaZnCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   7.02
_cell_angle_alpha   155.03
_cell_angle_beta   141.63
_cell_angle_gamma   46.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZnCl2
_chemical_formula_sum   'Ta1 Zn1 Cl2'
_cell_volume   90.3
_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
  Ta  Ta2  1  0.52  0.0  0.33  1.0
  Zn  Zn3  1  0.0  0.0  0.6  1.0
  Cl  Cl0  1  0.52  0.0  0.12  1.0
  Cl  Cl1  1  0.0  0.0  0.31  1.0

data_TaZnCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.61
_cell_length_c   7.02
_cell_angle_alpha   109.19
_cell_angle_beta   102.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZnCl2
_chemical_formula_sum   'Ta1 Zn1 Cl2'
_cell_volume   90.3
_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
  Ta  Ta0  1  0.0  0.33  0.81  1.0
  Zn  Zn1  1  0.0  0.6  0.6  1.0
  Cl  Cl2  1  0.0  0.12  0.6  1.0
  Cl  Cl3  1  0.0  0.31  0.31  1.0

Ta Zn Cl Cl