data_[Y8As2C3N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  As  2.1800  1.1500  0.6600
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.5602]
_cell_length_b [3.5602]
_cell_length_c [25.5569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Y8As2(CN)3]
_chemical_formula_sum '[Y8 As2 C3 N3]'
_cell_volume [280.5330]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.1695  1
  Y  Y1  2  0.0000  0.0000  0.3382  1
  Y  Y2  2  0.3333  0.6667  0.0587  1
  Y  Y3  2  0.3333  0.6667  0.4461  1
  As  As4  2  0.3333  0.6667  0.2558  1
  C  C5  2  0.3333  0.6667  0.8803  1
  C  C6  1  0.0000  0.0000  0.0000  1
  N  N7  2  0.3333  0.6667  0.6119  1
  N  N8  1  0.0000  0.0000  0.5000  1
]