data_[Sn6P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.0365]
_cell_length_b [5.1165]
_cell_length_c [10.8800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7279]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Sn3P4]
_chemical_formula_sum '[Sn6 P8]'
_cell_volume [378.8327]
_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
[
  Sn  Sn0  4  0.2060  0.0068  0.6281  1
  Sn  Sn1  2  0.0000  0.0483  0.0000  1
  P  P2  4  0.1018  0.5038  0.6891  1
  P  P3  4  0.2200  0.2575  0.8544  1
]