data_[Zr12Co12Si8]
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 [Cmcm]
_cell_length_a [3.7854]
_cell_length_b [9.4978]
_cell_length_c [13.8276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Zr3Co3Si2]
_chemical_formula_sum '[Zr12 Co12 Si8]'
_cell_volume [497.1430]
_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  0.0000  0.0723  0.6081  1.0
  Zr  Zr1  4  0.0000  0.3687  0.7500  1.0
  Co  Co2  8  0.0000  0.3596  0.5308  1.0
  Co  Co3  4  0.0000  0.3511  0.2500  1.0
  Si  Si4  8  0.0000  0.2142  0.1074  1.0
]