data_[Y12Zn2In6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2331]
_cell_length_b [5.2943]
_cell_length_c [11.6984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4321]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y6ZnIn3]
_chemical_formula_sum '[Y12 Zn2 In6]'
_cell_volume [542.5127]
_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  0.1017  0.7500  0.8708  1
  Y  Y1  2  0.1353  0.7500  0.1643  1
  Y  Y2  2  0.1479  0.2500  0.6791  1
  Y  Y3  2  0.2343  0.7500  0.4969  1
  Y  Y4  2  0.3311  0.2500  0.3303  1
  Y  Y5  2  0.4679  0.7500  0.0885  1
  Zn  Zn6  2  0.0414  0.2500  0.3979  1
  In  In7  2  0.2242  0.2500  0.0309  1
  In  In8  2  0.3796  0.7500  0.7792  1
  In  In9  2  0.4728  0.2500  0.6179  1
]