data_[Y10Mg2Zn12]
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 [4.9554]
_cell_length_b [7.1216]
_cell_length_c [15.0742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Y5MgZn6]
_chemical_formula_sum '[Y10 Mg2 Zn12]'
_cell_volume [531.9681]
_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  0.3291  1
  Y  Y1  4  0.0000  0.5000  0.3386  1
  Y  Y2  2  0.0000  0.5000  0.0000  1
  Mg  Mg3  2  0.0000  0.0000  0.0000  1
  Zn  Zn4  8  0.0000  0.2443  0.1616  1
  Zn  Zn5  4  0.0000  0.2569  0.5000  1
]