data_[Na2Al2P2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.8729]
_cell_length_b [3.8729]
_cell_length_c [10.8546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [NaAlPH]
_chemical_formula_sum '[Na2 Al2 P2 H2]'
_cell_volume [140.9964]
_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
[
  Na  Na0  2  0.3333  0.6667  0.0795  1.0
  Al  Al1  2  0.0000  0.0000  0.3421  1.0
  P  P2  2  0.3333  0.6667  0.7695  1.0
  H  H3  2  0.0000  0.0000  0.4965  1.0
]