data_ZrGaCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64
_cell_length_b   6.64
_cell_length_c   6.64
_cell_angle_alpha   151.76
_cell_angle_beta   138.71
_cell_angle_gamma   50.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGaCl2
_chemical_formula_sum   'Zr1 Ga1 Cl2'
_cell_volume   91.0
_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  0.34  0.18  1.0
  Ga  Ga2  1  0.0  0.0  0.81  1.0
  Cl  Cl0  1  0.0  0.0  0.21  1.0
  Cl  Cl1  1  0.62  0.0  0.8  1.0

data_ZrGaCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.68
_cell_length_c   6.64
_cell_angle_alpha   110.64
_cell_angle_beta   104.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGaCl2
_chemical_formula_sum   'Zr1 Ga1 Cl2'
_cell_volume   91.0
_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  0.82  0.16  0.16  1.0
  Ga  Ga1  1  0.19  0.19  0.19  1.0
  Cl  Cl2  1  0.79  0.79  0.79  1.0
  Cl  Cl3  1  0.82  0.2  0.82  1.0

Zr Ga Cl Cl
Zr Ga Cl Cl 0 1 o o - 2 3 - o - 