data_Fe2CoCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.46
_cell_length_b   4.04
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   99.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CoCu
_chemical_formula_sum   'Fe2 Co1 Cu1'
_cell_volume   46.55
_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  Fe2  1  0.45  0.0  0.0  1.0
  Fe  Fe3  1  0.62  0.02  0.2  1.0
  Co  Co0  1  0.84  0.0  0.3  1.0
  Cu  Cu1  1  0.0  0.02  0.53  1.0

data_Fe2CoCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.46
_cell_length_b   4.04
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   99.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CoCu
_chemical_formula_sum   'Fe2 Co1 Cu1'
_cell_volume   46.55
_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  0.45  0.0  0.0  1.0
  Fe  Fe1  1  0.62  0.02  0.2  1.0
  Co  Co2  1  0.84  0.0  0.3  1.0
  Cu  Cu3  1  0.0  0.02  0.53  1.0

Fe Fe Co Cu
Fe Fe Co Cu 0 1 o o o 1 2 o o o 2 3 + o o 