data_[Li16P4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7046]
_cell_length_b [4.2128]
_cell_length_c [7.5873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5736]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li4PCl]
_chemical_formula_sum '[Li16 P4 Cl4]'
_cell_volume [425.8115]
_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  0.0498  0.0000  0.7219  1.0
  Li  Li1  4  0.0668  0.5000  0.1532  1.0
  Li  Li2  4  0.1812  0.5000  0.5971  1.0
  Li  Li3  4  0.1968  0.0000  0.0022  1.0
  P  P4  4  0.1164  0.5000  0.8640  1.0
  Cl  Cl5  4  0.1372  0.0000  0.3950  1.0
]