data_[Y6Mg6Zn16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4580]
_cell_length_b [9.0958]
_cell_length_c [13.4595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Y3Mg3Zn8]
_chemical_formula_sum '[Y6 Mg6 Zn16]'
_cell_volume [545.7722]
_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  4  0.0000  0.0000  0.2069  1.0
  Y  Y1  2  0.0000  0.0000  0.5000  1.0
  Mg  Mg2  4  0.0000  0.2048  0.0000  1.0
  Mg  Mg3  2  0.0000  0.5000  0.5000  1.0
  Zn  Zn4  8  0.0000  0.2734  0.3551  1.0
  Zn  Zn5  8  0.0000  0.3639  0.1652  1.0
]