data_GaFe2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   3.63
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   91.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFe2Br
_chemical_formula_sum   'Ga1 Fe2 Br1'
_cell_volume   77.4
_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  0.99  0.0  0.72  1.0
  Fe  Fe1  1  0.27  0.0  0.45  1.0
  Fe  Fe2  1  0.99  0.81  0.38  1.0
  Br  Br0  1  0.44  0.81  0.05  1.0

data_GaFe2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   3.63
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   91.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFe2Br
_chemical_formula_sum   'Ga1 Fe2 Br1'
_cell_volume   77.4
_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  0.99  0.0  0.72  1.0
  Fe  Fe1  1  0.27  0.0  0.45  1.0
  Fe  Fe2  1  0.99  0.81  0.38  1.0
  Br  Br3  1  0.44  0.81  0.05  1.0

Ga Fe Fe Br