data_GaFeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.8
_cell_length_b   6.8
_cell_length_c   6.8
_cell_angle_alpha   147.56
_cell_angle_beta   147.56
_cell_angle_gamma   46.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFeCl2
_chemical_formula_sum   'Ga1 Fe1 Cl2'
_cell_volume   90.11
_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  Ga3  1  0.0  0.9  0.12  1.0
  Fe  Fe2  1  0.0  0.0  0.25  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.9  0.0  0.12  1.0

data_GaFeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   3.8
_cell_length_c   6.8
_cell_angle_alpha   106.22
_cell_angle_beta   106.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFeCl2
_chemical_formula_sum   'Ga1 Fe1 Cl2'
_cell_volume   90.11
_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  Ga0  1  0.78  0.9  0.78  1.0
  Fe  Fe1  1  0.75  0.0  0.75  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.88  0.0  0.78  1.0

Ga Fe Cl Cl
Ga Fe Cl Cl 0 1 o + o 0 2 o + o 1 3 - o o 1 2 o o o 2 3 - o o 