data_[Y2Mg2Zn22]
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 [C2/m]
_cell_length_a [5.3803]
_cell_length_b [12.5073]
_cell_length_c [6.8446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YMgZn11]
_chemical_formula_sum '[Y2 Mg2 Zn22]'
_cell_volume [424.4207]
_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  0.0000  1
  Mg  Mg1  2  0.0000  0.0000  0.5000  1
  Zn  Zn2  8  0.1022  0.3907  0.2131  1
  Zn  Zn3  8  0.1842  0.1789  0.3505  1
  Zn  Zn4  4  0.2500  0.2500  0.0000  1
  Zn  Zn5  2  0.0000  0.5000  0.5000  1
]