data_[Zr2Ti8Co4]
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 [Cmmm]
_cell_length_a [4.1015]
_cell_length_b [13.6755]
_cell_length_c [4.0460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Zr(Ti2Co)2]
_chemical_formula_sum '[Zr2 Ti8 Co4]'
_cell_volume [226.9396]
_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
[
  Zr  Zr0  2  0.0000  0.0000  0.0000  1.0
  Ti  Ti1  4  0.0000  0.1802  0.5000  1.0
  Ti  Ti2  4  0.0000  0.3239  0.0000  1.0
  Co  Co3  4  0.0000  0.4181  0.5000  1.0
]