data_[Li2Y12Zn10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.0721]
_cell_length_b [15.2265]
_cell_length_c [7.2130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [LiY6Zn5]
_chemical_formula_sum '[Li2 Y12 Zn10]'
_cell_volume [557.0554]
_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
[
  Li  Li0  2  0.0000  0.0000  0.0000  1
  Y  Y1  8  0.0000  0.1693  0.2517  1
  Y  Y2  4  0.0000  0.5000  0.2566  1
  Zn  Zn3  4  0.0000  0.3344  0.5000  1
  Zn  Zn4  4  0.0000  0.3388  0.0000  1
  Zn  Zn5  2  0.0000  0.0000  0.5000  1
]