data_[Li12Y4O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [5.1764]
_cell_length_b [12.2856]
_cell_length_c [5.4468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3467]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Li3YO4]
_chemical_formula_sum '[Li12 Y4 O16]'
_cell_volume [328.7850]
_cell_formula_units_Z [4]
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  1  0.0000  0.1346  0.5000  1
  Li  Li1  1  0.0000  0.3865  0.5000  1
  Li  Li2  1  0.0000  0.4990  0.0000  1
  Li  Li3  1  0.0000  0.6015  0.5000  1
  Li  Li4  1  0.5000  0.0370  0.5000  1
  Li  Li5  1  0.5000  0.1264  0.0000  1
  Li  Li6  1  0.5000  0.2557  0.5000  1
  Li  Li7  1  0.5000  0.3907  0.0000  1
  Li  Li8  1  0.5000  0.4973  0.5000  1
  Li  Li9  1  0.5000  0.6048  0.0000  1
  Li  Li10  1  0.5000  0.7205  0.5000  1
  Li  Li11  1  0.5000  0.8651  0.0000  1
  Y  Y12  1  0.0000  0.0083  0.0000  1
  Y  Y13  1  0.0000  0.2710  0.0000  1
  Y  Y14  1  0.0000  0.7242  0.0000  1
  Y  Y15  1  0.0000  0.8693  0.5000  1
  O  O16  2  0.2338  0.4869  0.7591  1
  O  O17  2  0.2411  0.8641  0.2251  1
  O  O18  2  0.2463  0.1407  0.2450  1
  O  O19  2  0.2506  0.4002  0.2587  1
  O  O20  2  0.2551  0.0058  0.7371  1
  O  O21  2  0.2562  0.7325  0.7374  1
  O  O22  2  0.2594  0.5988  0.2519  1
  O  O23  2  0.2695  0.2751  0.7418  1
]