data_[Zr4Co88B24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Co  1.8800  1.3500  0.7683
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.5190]
_cell_length_b [10.5190]
_cell_length_c [10.5190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Zr(Co11B3)2]
_chemical_formula_sum '[Zr4 Co88 B24]'
_cell_volume [1163.9077]
_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  4  0.0000  0.0000  0.0000  1
  Co  Co1  48  0.0000  0.1731  0.1731  1
  Co  Co2  32  0.1188  0.1188  0.3812  1
  Co  Co3  8  0.2500  0.2500  0.2500  1
  B  B4  24  0.0000  0.0000  0.2721  1
]