data_GaFe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   2.89
_cell_angle_alpha   104.0
_cell_angle_beta   104.0
_cell_angle_gamma   111.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFe2Cl
_chemical_formula_sum   'Ga1 Fe2 Cl1'
_cell_volume   59.98
_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  0.79  0.0  0.0  1.0
  Fe  Fe1  1  0.77  0.06  0.3  1.0
  Fe  Fe2  1  0.77  0.94  0.3  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_GaFe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   111.87
_cell_angle_beta   104.0
_cell_angle_gamma   104.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFe2Cl
_chemical_formula_sum   'Ga1 Fe2 Cl1'
_cell_volume   59.98
_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  0.0  0.79  0.0  1.0
  Fe  Fe1  1  0.3  0.77  0.06  1.0
  Fe  Fe2  1  0.3  0.77  0.94  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ga Fe Fe Cl