data_ZrAlCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   9.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   125.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlCl2
_chemical_formula_sum   'Zr1 Al1 Cl2'
_cell_volume   94.76
_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  Zr3  1  0.0  0.0  0.97  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.56  0.0  0.9  1.0
  Cl  Cl2  1  0.56  0.0  0.03  1.0

data_ZrAlCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.43
_cell_length_c   9.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlCl2
_chemical_formula_sum   'Zr1 Al1 Cl2'
_cell_volume   94.76
_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  0.0  0.97  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.56  0.03  1.0
  Cl  Cl3  1  0.0  0.56  0.9  1.0

Zr Al Cl Cl