data_[Y8Zr2Si6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [8.3579]
_cell_length_b [8.3579]
_cell_length_c [6.2131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [162]
_chemical_formula_structural [Y4ZrSi3]
_chemical_formula_sum '[Y8 Zr2 Si6]'
_cell_volume [375.8688]
_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
[
  Y  Y0  6  0.0000  0.2453  0.7442  1.0
  Y  Y1  2  0.3333  0.6667  0.0000  1.0
  Zr  Zr2  2  0.3333  0.6667  0.5000  1.0
  Si  Si3  6  0.0000  0.3992  0.2768  1.0
]