data_[Na16As4P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0979]
_cell_length_b [4.9372]
_cell_length_c [6.9868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na8As2P]
_chemical_formula_sum '[Na16 As4 P2]'
_cell_volume [545.5939]
_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  4  0.0173  0.0000  0.7809  1.0
  Na  Na1  4  0.1043  0.5000  0.4282  1.0
  Na  Na2  4  0.1608  0.5000  0.9400  1.0
  Na  Na3  4  0.2038  0.0000  0.2835  1.0
  As  As4  4  0.1742  0.0000  0.6793  1.0
  P  P5  2  0.0000  0.5000  0.0000  1.0
]