data_TaZn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   4.39
_cell_angle_alpha   97.37
_cell_angle_beta   97.37
_cell_angle_gamma   28.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZn2Cl
_chemical_formula_sum   'Ta1 Zn2 Cl1'
_cell_volume   68.05
_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  Ta1  1  0.23  0.0  0.17  1.0
  Zn  Zn2  1  0.1  0.0  0.19  1.0
  Zn  Zn3  1  0.35  0.0  0.16  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_TaZn2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.39
_cell_length_c   5.7
_cell_angle_alpha   97.37
_cell_angle_beta   104.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZn2Cl
_chemical_formula_sum   'Ta1 Zn2 Cl1'
_cell_volume   68.05
_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  0.17  0.23  1.0
  Zn  Zn1  1  0.0  0.16  0.35  1.0
  Zn  Zn2  1  0.0  0.19  0.1  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ta Zn Zn Cl
Ta Zn Zn Cl 0 1 o o o 0 2 o o o 1 3 o o o 