data_[Li6P6]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1710]
_cell_length_b [3.3476]
_cell_length_c [7.0427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6684]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiP]
_chemical_formula_sum '[Li6 P6]'
_cell_volume [194.8771]
_cell_formula_units_Z [6]
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  0.2731  0.0000  0.5724  1
  Li  Li1  2  0.4353  0.0000  0.3269  1
  Li  Li2  2  0.4972  0.5000  0.0214  1
  P  P3  2  0.0579  0.0000  0.7167  1
  P  P4  2  0.1943  0.5000  0.2512  1
  P  P5  2  0.2090  0.5000  0.9449  1
]