data_GaNiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.68
_cell_length_b   9.68
_cell_length_c   9.68
_cell_angle_alpha   20.18
_cell_angle_beta   20.18
_cell_angle_gamma   20.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNiCl2
_chemical_formula_sum   'Ga1 Ni1 Cl2'
_cell_volume   94.39
_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
  Ga  Ga2  1  0.0  0.0  0.22  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.14  1.0
  Cl  Cl1  1  0.0  0.0  0.29  1.0

data_GaNiCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.87
_cell_length_b   3.39
_cell_length_c   9.68
_cell_angle_alpha   90.0
_cell_angle_beta   101.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaNiCl2
_chemical_formula_sum   'Ga2 Ni2 Cl4'
_cell_volume   188.78
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ga  Ga0  2  0.0  0.0  0.78  1.0
  Ni  Ni1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  2  0.0  0.0  0.71  1.0
  Cl  Cl3  2  0.0  0.0  0.86  1.0

Ga Ni Cl Cl