data_[Zn12P8]
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 [P6mm]
_cell_length_a [8.6325]
_cell_length_b [8.6325]
_cell_length_c [19.2450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Zn3P2]
_chemical_formula_sum '[Zn12 P8]'
_cell_volume [1241.9945]
_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  6  0.1701  0.8299  0.5218  1
  Zn  Zn1  3  0.0000  0.5000  0.5824  1
  Zn  Zn2  2  0.3333  0.6667  0.4966  1
  Zn  Zn3  1  0.0000  0.0000  0.5332  1
  P  P4  6  0.2462  0.4923  0.3943  1
  P  P5  2  0.3333  0.6667  0.6149  1
]