data_[Zr6Co4Si8]
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 [C2/m]
_cell_length_a [10.0191]
_cell_length_b [3.8945]
_cell_length_c [7.5634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr3(CoSi2)2]
_chemical_formula_sum '[Zr6 Co4 Si8]'
_cell_volume [279.9253]
_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  4  0.1230  0.5000  0.6945  1.0
  Zr  Zr1  2  0.0000  0.0000  0.0000  1.0
  Co  Co2  4  0.1899  0.5000  0.3655  1.0
  Si  Si3  4  0.0887  0.0000  0.4036  1.0
  Si  Si4  4  0.2153  0.5000  0.0765  1.0
]