data_[Zr8Co8Si8]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.9334]
_cell_length_b [5.0952]
_cell_length_c [8.5917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ZrCoSi]
_chemical_formula_sum '[Zr8 Co8 Si8]'
_cell_volume [347.2943]
_cell_formula_units_Z [8]
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  0.2039  0.0000  0.6617  1
  Zr  Zr1  4  0.3186  0.0000  0.3326  1
  Co  Co2  4  0.2303  0.0000  0.9903  1
  Co  Co3  4  0.5000  0.2483  0.0946  1
  Si  Si4  4  0.0000  0.2445  0.4118  1
  Si  Si5  2  0.0000  0.0000  0.1651  1
  Si  Si6  2  0.5000  0.0000  0.8530  1
]