data_[Li20Sn4P12]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.3288]
_cell_length_b [5.9901]
_cell_length_c [8.5039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4900]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li5SnP3]
_chemical_formula_sum '[Li20 Sn4 P12]'
_cell_volume [643.9091]
_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  8  0.1650  0.2561  0.0721  1.0
  Li  Li1  8  0.1705  0.2547  0.5910  1.0
  Li  Li2  4  0.0000  0.2478  0.7500  1.0
  Sn  Sn3  4  0.0000  0.2648  0.2500  1.0
  P  P4  8  0.1657  0.4893  0.3283  1.0
  P  P5  4  0.0000  0.0000  0.0000  1.0
]