data_GaFe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   3.88
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFe2Pt
_chemical_formula_sum   'Ga1 Fe2 Pt1'
_cell_volume   54.31
_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  0.0  1.0
  Fe  Fe0  1  0.35  0.94  0.95  1.0
  Fe  Fe1  1  0.35  0.94  0.25  1.0
  Pt  Pt3  1  0.0  0.0  0.6  1.0

data_GaFe2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   3.88
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFe2Pt
_chemical_formula_sum   'Ga1 Fe2 Pt1'
_cell_volume   54.31
_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  0.0  0.0  1.0
  Fe  Fe1  1  0.35  0.94  0.25  1.0
  Fe  Fe2  1  0.35  0.94  0.95  1.0
  Pt  Pt3  1  0.0  0.0  0.6  1.0

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