data_[Ti8In4Co4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6055]
_cell_length_b [3.1080]
_cell_length_c [6.9964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7699]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2InCo]
_chemical_formula_sum '[Ti8 In4 Co4]'
_cell_volume [272.1925]
_cell_formula_units_Z [4]
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
[
  Ti  Ti0  4  0.0578  0.0000  0.3125  1.0
  Ti  Ti1  4  0.2358  0.0000  0.6632  1.0
  In  In2  4  0.1205  0.5000  0.9667  1.0
  Co  Co3  4  0.0947  0.5000  0.5774  1.0
]