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 [C2]
_cell_length_a [5.3137]
_cell_length_b [6.2507]
_cell_length_c [5.2128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8940]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LiPH]
_chemical_formula_sum '[Li4 P4 H4]'
_cell_volume [160.6522]
_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  0.2091  0.2911  0.7596  1.0
  P  P1  4  0.1964  0.8806  0.6763  1.0
  H  H2  4  0.1663  0.6914  0.8261  1.0
]