data_[Y6Zn2Si6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.9269]
_cell_length_b [4.2114]
_cell_length_c [17.8362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Y3ZnSi3]
_chemical_formula_sum '[Y6 Zn2 Si6]'
_cell_volume [294.9715]
_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  2  0.0000  0.0000  0.0040  1
  Y  Y1  2  0.0000  0.5000  0.3137  1
  Y  Y2  2  0.0000  0.5000  0.6844  1
  Zn  Zn3  2  0.0000  0.0000  0.4326  1
  Si  Si4  2  0.0000  0.0000  0.5649  1
  Si  Si5  2  0.0000  0.5000  0.1460  1
  Si  Si6  2  0.0000  0.5000  0.8542  1
]