data_Zr2ZnCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   6.62
_cell_angle_alpha   101.97
_cell_angle_beta   101.97
_cell_angle_gamma   47.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ZnCl
_chemical_formula_sum   'Zr2 Zn1 Cl1'
_cell_volume   78.95
_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
  Zr  Zr2  1  0.23  0.0  0.64  1.0
  Zr  Zr3  1  0.74  0.0  0.81  1.0
  Zn  Zn1  1  0.98  0.0  0.22  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Zr2ZnCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.08
_cell_length_c   6.62
_cell_angle_alpha   101.97
_cell_angle_beta   90.0
_cell_angle_gamma   113.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ZnCl
_chemical_formula_sum   'Zr2 Zn1 Cl1'
_cell_volume   78.95
_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
  Zr  Zr0  1  0.0  0.26  0.19  1.0
  Zr  Zr1  1  0.0  0.77  0.36  1.0
  Zn  Zn2  1  0.0  0.02  0.78  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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