data_Fe2CoCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   4.45
_cell_angle_alpha   98.63
_cell_angle_beta   98.63
_cell_angle_gamma   33.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CoCu
_chemical_formula_sum   'Fe2 Co1 Cu1'
_cell_volume   46.52
_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  0.12  0.0  0.09  1.0
  Fe  Fe3  1  0.59  0.0  0.3  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.85  0.0  0.2  1.0

data_Fe2CoCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.52
_cell_length_b   4.39
_cell_length_c   4.45
_cell_angle_alpha   98.63
_cell_angle_beta   90.0
_cell_angle_gamma   106.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CoCu
_chemical_formula_sum   'Fe2 Co1 Cu1'
_cell_volume   46.52
_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  0.0  0.41  0.7  1.0
  Fe  Fe1  1  0.0  0.88  0.91  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.0  0.15  0.8  1.0

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