data_[Sn6P2N2]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [18.4760]
_cell_length_b [2.8761]
_cell_length_c [17.0169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sn3PN]
_chemical_formula_sum '[Sn6 P2 N2]'
_cell_volume [904.2637]
_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  2  0.0200  0.0000  0.4504  1
  Sn  Sn1  2  0.2733  0.5000  0.4318  1
  Sn  Sn2  2  0.3916  0.5000  0.5503  1
  P  P3  2  0.1385  0.0000  0.5497  1
  N  N4  2  0.1839  0.5000  0.5179  1
]