data_[Zr8Ti4Co8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2397]
_cell_length_b [5.3067]
_cell_length_c [6.9784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr2TiCo2]
_chemical_formula_sum '[Zr8 Ti4 Co8]'
_cell_volume [333.3447]
_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
[
  Zr  Zr0  8  0.1493  0.3735  0.1518  1.0
  Ti  Ti1  4  0.0000  0.1354  0.7500  1.0
  Co  Co2  8  0.1361  0.1318  0.5034  1.0
]