data_[Ti10Fe2Co12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Fe  1.8300  1.4000  0.8525
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9953]
_cell_length_b [6.4286]
_cell_length_c [11.7808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ti5FeCo6]
_chemical_formula_sum '[Ti10 Fe2 Co12]'
_cell_volume [302.5804]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.3179  1
  Ti  Ti1  4  0.0000  0.5000  0.3617  1
  Ti  Ti2  2  0.0000  0.5000  0.0000  1
  Fe  Fe3  2  0.0000  0.0000  0.0000  1
  Co  Co4  8  0.0000  0.2680  0.1666  1
  Co  Co5  4  0.0000  0.2153  0.5000  1
]