data_[Y12P2S4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4467]
_cell_length_b [11.2228]
_cell_length_c [6.5414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0341]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6P(SN)2]
_chemical_formula_sum '[Y12 P2 S4 N4]'
_cell_volume [447.3944]
_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
[
  Y  Y0  8  0.2448  0.1760  0.7768  1.0
  Y  Y1  4  0.2222  0.0000  0.2180  1.0
  P  P2  2  0.0000  0.0000  0.5000  1.0
  S  S3  4  0.0000  0.3383  0.5000  1.0
  N  N4  4  0.0000  0.1659  0.0000  1.0
]