data_[Zn4Sn8P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [7.0130]
_cell_length_b [12.2593]
_cell_length_c [7.5031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4500]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [ZnSn2P3]
_chemical_formula_sum '[Zn4 Sn8 P12]'
_cell_volume [600.3956]
_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  0.4771  0.5814  0.9890  1
  Sn  Sn1  4  0.4807  0.2600  0.9923  1
  Sn  Sn2  4  0.4894  0.0828  0.4808  1
  P  P3  4  0.3493  0.0851  0.1042  1
  P  P4  4  0.3754  0.2564  0.6184  1
  P  P5  4  0.3806  0.4303  0.1441  1
]