data_GaFe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   134.86
_cell_angle_beta   134.86
_cell_angle_gamma   65.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFe2Pt
_chemical_formula_sum   'Ga1 Fe2 Pt1'
_cell_volume   54.3
_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  0.0  0.84  0.01  1.0
  Fe  Fe1  1  0.84  0.0  0.01  1.0
  Pt  Pt3  1  0.0  0.0  0.02  1.0

data_GaFe2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   122.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaFe2Pt
_chemical_formula_sum   'Ga2 Fe4 Pt2'
_cell_volume   108.6
_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  0.0  1.0
  Fe  Fe1  4  0.08  0.08  0.17  1.0
  Pt  Pt2  2  0.0  0.0  0.02  1.0

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