data_[Ti4Zn16Co4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Zn  1.6500  1.3500  0.8800
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.8593]
_cell_length_b [6.3144]
_cell_length_c [11.7999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [TiZn4Co]
_chemical_formula_sum '[Ti4 Zn16 Co4]'
_cell_volume [362.0668]
_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  0.0000  0.0000  0.2087  1
  Zn  Zn1  8  0.0000  0.2867  0.3797  1
  Zn  Zn2  4  0.0000  0.1862  0.0000  1
  Zn  Zn3  4  0.0000  0.5000  0.1796  1
  Co  Co4  4  0.2307  0.0000  0.5000  1
]