data_[Li12Sn12P12O48]
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 [Pna2_1]
_cell_length_a [25.1424]
_cell_length_b [8.6847]
_cell_length_c [5.3967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [LiSnPO4]
_chemical_formula_sum '[Li12 Sn12 P12 O48]'
_cell_volume [1178.3912]
_cell_formula_units_Z [12]
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  0.0737  0.4178  0.2247  1
  Li  Li1  4  0.0905  0.9292  0.7417  1
  Li  Li2  4  0.2405  0.0830  0.2348  1
  Sn  Sn3  4  0.0179  0.7421  0.2413  1
  Sn  Sn4  4  0.1493  0.2494  0.7573  1
  Sn  Sn5  4  0.1839  0.7569  0.2168  1
  P  P6  4  0.0616  0.5820  0.7247  1
  P  P7  4  0.1042  0.0841  0.2551  1
  P  P8  4  0.2267  0.9236  0.7275  1
  O  O9  4  0.0023  0.5404  0.6964  1
  O  O10  4  0.0658  0.7345  0.8809  1
  O  O11  4  0.0702  0.9570  0.3782  1
  O  O12  4  0.0840  0.1187  0.9857  1
  O  O13  4  0.0847  0.6095  0.4573  1
  O  O14  4  0.0939  0.4563  0.8628  1
  O  O15  4  0.0980  0.2362  0.4143  1
  O  O16  4  0.1639  0.0428  0.2482  1
  O  O17  4  0.1675  0.9678  0.7420  1
  O  O18  4  0.2310  0.7695  0.5728  1
  O  O19  4  0.2393  0.5484  0.0963  1
  O  O20  4  0.2486  0.8930  0.9953  1
]