data_[Y12C2S4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  C  2.5500  0.7000  0.3000
  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 [6.4550]
_cell_length_b [11.0019]
_cell_length_c [6.3191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2910]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6C(SN)2]
_chemical_formula_sum '[Y12 C2 S4 N4]'
_cell_volume [423.5603]
_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  0.2369  0.1648  0.7693  1.0
  Y  Y1  4  0.2051  0.0000  0.2424  1.0
  C  C2  2  0.0000  0.0000  0.5000  1.0
  S  S3  4  0.0000  0.3369  0.5000  1.0
  N  N4  4  0.0000  0.1672  0.0000  1.0
]