data_InFe2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   129.12
_cell_angle_beta   129.12
_cell_angle_gamma   74.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFe2Co
_chemical_formula_sum   'In1 Fe2 Co1'
_cell_volume   54.05
_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
  In  In3  1  0.94  0.0  0.79  1.0
  Fe  Fe1  1  0.0  0.94  0.79  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.59  1.0

data_InFe2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   4.52
_cell_angle_alpha   115.44
_cell_angle_beta   115.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFe2Co
_chemical_formula_sum   'In1 Fe2 Co1'
_cell_volume   54.05
_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
  In  In0  1  0.79  0.85  0.85  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.85  0.79  0.85  1.0
  Co  Co3  1  0.59  0.59  0.59  1.0

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