data_[Li4Sn4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.4230]
_cell_length_b [9.4607]
_cell_length_c [4.6984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3109]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LiSnO3]
_chemical_formula_sum '[Li4 Sn4 O12]'
_cell_volume [228.8478]
_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  2  0.0000  0.4928  0.0000  1
  Li  Li1  2  0.0000  0.6300  0.5000  1
  Sn  Sn2  2  0.0000  0.1718  0.0000  1
  Sn  Sn3  2  0.0000  0.8439  0.0000  1
  O  O4  4  0.2300  0.6788  0.2443  1
  O  O5  4  0.2376  0.0086  0.2173  1
  O  O6  4  0.2478  0.3229  0.2496  1
]