data_[Li6P2]
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 [Pm]
_cell_length_a [4.7243]
_cell_length_b [6.4083]
_cell_length_c [18.5344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Li3P]
_chemical_formula_sum '[Li6 P2]'
_cell_volume [561.1161]
_cell_formula_units_Z [2]
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  0.0366  0.2409  0.4083  1
  Li  Li1  2  0.7381  0.2569  0.5470  1
  Li  Li2  1  0.2386  0.0000  0.5990  1
  Li  Li3  1  0.5008  0.5000  0.4310  1
  P  P4  2  0.2389  0.3213  0.5297  1
]