data_FeCo2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   4.38
_cell_angle_alpha   131.83
_cell_angle_beta   131.83
_cell_angle_gamma   70.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2Cu
_chemical_formula_sum   'Fe1 Co2 Cu1'
_cell_volume   45.56
_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  Fe3  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.79  0.0  0.79  1.0
  Co  Co1  1  0.0  0.0  0.57  1.0
  Cu  Cu2  1  0.0  0.79  0.79  1.0

data_FeCo2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   4.38
_cell_angle_alpha   114.09
_cell_angle_beta   114.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2Cu
_chemical_formula_sum   'Fe1 Co2 Cu1'
_cell_volume   45.56
_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  0.0  0.0  1.0
  Co  Co1  1  0.21  0.0  1.0  1.0
  Co  Co2  1  0.43  0.0  0.43  1.0
  Cu  Cu3  1  1.0  0.79  1.0  1.0

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