data_[Li4P8]
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 [C2/m]
_cell_length_a [13.4174]
_cell_length_b [3.2847]
_cell_length_c [5.4544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9029]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiP2]
_chemical_formula_sum '[Li4 P8]'
_cell_volume [228.7510]
_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  0.1696  0.5000  0.7201  1.0
  P  P1  4  0.0802  0.0000  0.9776  1.0
  P  P2  4  0.1578  0.5000  0.2380  1.0
]