data_[Y2Mg12Zn2]
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 [Amm2]
_cell_length_a [5.0376]
_cell_length_b [6.1047]
_cell_length_c [12.0849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [YMg6Zn]
_chemical_formula_sum '[Y2 Mg12 Zn2]'
_cell_volume [371.6426]
_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  0.5000  0.0000  0.1867  1.0
  Mg  Mg1  4  0.0000  0.2496  0.5778  1.0
  Mg  Mg2  4  0.5000  0.2478  0.9309  1.0
  Mg  Mg3  2  0.0000  0.0000  0.3440  1.0
  Mg  Mg4  2  0.0000  0.0000  0.8075  1.0
  Zn  Zn5  2  0.5000  0.0000  0.6444  1.0
]