data_Fe2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   2.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Co
_chemical_formula_sum   'Fe2 Co1'
_cell_volume   30.9
_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  0.92  0.11  0.21  1.0
  Fe  Fe2  1  0.0  0.21  0.21  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_Fe2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.43
_cell_length_b   3.83
_cell_length_c   3.83
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Co
_chemical_formula_sum   'Fe2 Co1'
_cell_volume   30.9
_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  0.21  0.0  0.21  1.0
  Fe  Fe1  1  0.21  0.92  0.11  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0

Fe Fe Co
Fe Fe Co 0 1 + o o 0 2 + o o 1 2 o o o 