data_[Zn4P16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P4_12_12]
_cell_length_a [5.0459]
_cell_length_b [5.0459]
_cell_length_c [14.6337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [92]
_chemical_formula_structural [ZnP4]
_chemical_formula_sum '[Zn4 P16]'
_cell_volume [372.5903]
_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
[
  Zn  Zn0  4  0.1980  0.1980  0.0000  1.0
  P  P1  8  0.0122  0.9015  0.1252  1.0
  P  P2  8  0.0761  0.6802  0.7990  1.0
]