data_TlZn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53
_cell_length_b   3.53
_cell_length_c   8.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZn2Cl
_chemical_formula_sum   'Tl1 Zn2 Cl1'
_cell_volume   95.31
_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
  Tl  Tl1  1  0.0  0.0  0.2  1.0
  Zn  Zn2  1  0.9  0.0  0.49  1.0
  Zn  Zn3  1  0.9  0.0  0.92  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_TlZn2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   3.53
_cell_length_c   8.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZn2Cl
_chemical_formula_sum   'Tl1 Zn2 Cl1'
_cell_volume   95.31
_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
  Tl  Tl0  1  0.0  0.0  0.2  1.0
  Zn  Zn1  1  0.9  0.0  0.49  1.0
  Zn  Zn2  1  0.9  0.0  0.92  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Tl Zn Zn Cl
Tl Zn Zn Cl 0 3 o o o 0 1 - o o 2 3 + o + 