data_[Na4Al4P4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6955]
_cell_length_b [3.8792]
_cell_length_c [7.1145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6770]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaAlP]
_chemical_formula_sum '[Na4 Al4 P4]'
_cell_volume [262.9517]
_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
[
  Na  Na0  4  0.1239  0.5000  0.8453  1.0
  Al  Al1  4  0.1253  0.0000  0.4507  1.0
  P  P2  4  0.1789  0.5000  0.2699  1.0
]