data_[Li4Sn8P12O40]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.2181]
_cell_length_b [10.2166]
_cell_length_c [9.8483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1053]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiSn2P3O10]
_chemical_formula_sum '[Li4 Sn8 P12 O40]'
_cell_volume [1063.5028]
_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  0.0000  0.2238  0.7500  1
  Sn  Sn1  8  0.1777  0.4347  0.5630  1
  P  P2  8  0.1396  0.2714  0.1278  1
  P  P3  4  0.0000  0.1084  0.2500  1
  O  O4  8  0.0193  0.2047  0.1369  1
  O  O5  8  0.0924  0.2795  0.9543  1
  O  O6  8  0.1175  0.0268  0.3492  1
  O  O7  8  0.1576  0.4098  0.2011  1
  O  O8  8  0.2450  0.3149  0.7732  1
]