data_[Na12P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P222_1]
_cell_length_a [6.3243]
_cell_length_b [19.9980]
_cell_length_c [9.9590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [17]
_chemical_formula_structural [Na3P]
_chemical_formula_sum '[Na12 P4]'
_cell_volume [1259.5382]
_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  0.2423  0.3751  0.6125  1
  Na  Na1  4  0.2497  0.4812  0.2345  1
  Na  Na2  4  0.2576  0.3928  0.9616  1
  P  P3  2  0.0604  0.5000  0.5000  1
  P  P4  2  0.4288  0.5000  0.5000  1
]