data_[In8Fe8Co8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Fe  1.8300  1.4000  0.8525
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.7323]
_cell_length_b [6.8811]
_cell_length_c [6.4980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7738]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [InFeCo]
_chemical_formula_sum '[In8 Fe8 Co8]'
_cell_volume [362.5955]
_cell_formula_units_Z [8]
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  4  0.1972  0.3581  0.1147  1
  In  In1  4  0.2008  0.0572  0.7893  1
  Fe  Fe2  4  0.3881  0.2438  0.5540  1
  Fe  Fe3  4  0.4049  0.4195  0.9118  1
  Co  Co4  4  0.0981  0.3040  0.4412  1
  Co  Co5  4  0.4674  0.1159  0.2070  1
]