data_[Y6Mg6Zn6]
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 [Pmma]
_cell_length_a [13.1669]
_cell_length_b [4.1852]
_cell_length_c [7.6022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [YMgZn]
_chemical_formula_sum '[Y6 Mg6 Zn6]'
_cell_volume [418.9275]
_cell_formula_units_Z [6]
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  0.0437  0.0000  0.7651  1.0
  Y  Y1  2  0.2500  0.0000  0.1459  1.0
  Mg  Mg2  4  0.1214  0.5000  0.4353  1.0
  Mg  Mg3  2  0.2500  0.5000  0.7959  1.0
  Zn  Zn4  4  0.0941  0.5000  0.0542  1.0
  Zn  Zn5  2  0.2500  0.0000  0.5563  1.0
]