data_[Li4P4H4]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.8259]
_cell_length_b [3.2828]
_cell_length_c [4.4885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1743]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiPH]
_chemical_formula_sum '[Li4 P4 H4]'
_cell_volume [174.1279]
_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  2  0.2491  0.5000  0.3453  1
  Li  Li1  2  0.4689  0.0000  0.4447  1
  P  P2  2  0.0919  0.5000  0.9460  1
  P  P3  2  0.1992  0.0000  0.7864  1
  H  H4  2  0.2948  0.0000  0.9990  1
  H  H5  2  0.4004  0.5000  0.3849  1
]