data_[Y4Zn16]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5082]
_cell_length_b [4.2438]
_cell_length_c [5.7021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7117]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YZn4]
_chemical_formula_sum '[Y4 Zn16]'
_cell_volume [367.4579]
_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
[
  Y  Y0  4  0.2146  0.0000  0.2253  1.0
  Zn  Zn1  4  0.0143  0.0000  0.2363  1.0
  Zn  Zn2  4  0.0890  0.5000  0.9221  1.0
  Zn  Zn3  4  0.0965  0.5000  0.4132  1.0
  Zn  Zn4  4  0.1433  0.0000  0.6825  1.0
]