data_Fe2CuPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   3.79
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CuPt
_chemical_formula_sum   'Fe2 Cu1 Pt1'
_cell_volume   52.28
_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
  Fe  Fe1  1  0.33  0.89  0.26  1.0
  Fe  Fe2  1  0.33  0.89  0.93  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.59  1.0

data_Fe2CuPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   3.79
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CuPt
_chemical_formula_sum   'Fe2 Cu1 Pt1'
_cell_volume   52.28
_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
  Fe  Fe0  1  0.33  0.89  0.26  1.0
  Fe  Fe1  1  0.33  0.89  0.93  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.59  1.0

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