data_[Li2Hf10P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hf  1.3000  1.5500  0.8500
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4107]
_cell_length_b [11.0861]
_cell_length_c [6.4103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4654]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiHf5P6]
_chemical_formula_sum '[Li2 Hf10 P12]'
_cell_volume [429.5428]
_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  0.0000  0.0000  0.0000  1
  Hf  Hf1  4  0.0000  0.1646  0.5000  1
  Hf  Hf2  4  0.0000  0.3345  0.0000  1
  Hf  Hf3  2  0.0000  0.5000  0.5000  1
  P  P4  8  0.2480  0.1652  0.2486  1
  P  P5  4  0.2472  0.0000  0.7536  1
]