data_[Ti22Co18Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [12.8587]
_cell_length_b [16.9207]
_cell_length_c [2.9011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ti11Co9Ni4]
_chemical_formula_sum '[Ti22 Co18 Ni8]'
_cell_volume [631.2148]
_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  8  0.2411  0.1735  0.0000  1
  Ti  Ti1  4  0.0000  0.1840  0.0000  1
  Ti  Ti2  4  0.0000  0.3695  0.0000  1
  Ti  Ti3  4  0.2251  0.0000  0.0000  1
  Ti  Ti4  2  0.0000  0.0000  0.0000  1
  Co  Co5  8  0.1084  0.2705  0.5000  1
  Co  Co6  8  0.1147  0.0907  0.5000  1
  Co  Co7  2  0.0000  0.5000  0.5000  1
  Ni  Ni8  8  0.1573  0.4219  0.5000  1
]