data_[Li12Sb4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sb  2.0500  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4732]
_cell_length_b [3.8044]
_cell_length_c [8.0536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2335]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3SbO]
_chemical_formula_sum '[Li12 Sb4 O4]'
_cell_volume [309.6165]
_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  4  0.0628  0.0000  0.1370  1.0
  Li  Li1  4  0.1256  0.0000  0.7087  1.0
  Li  Li2  4  0.1779  0.5000  0.9635  1.0
  Sb  Sb3  4  0.1326  0.5000  0.4398  1.0
  O  O4  4  0.1286  0.0000  0.9398  1.0
]