data_[Y12C4N2Cl4]
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
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3126]
_cell_length_b [10.9000]
_cell_length_c [6.7937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3404]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6C2NCl2]
_chemical_formula_sum '[Y12 C4 N2 Cl4]'
_cell_volume [443.7162]
_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  0.2357  0.1626  0.6997  1.0
  Y  Y1  4  0.2295  0.5000  0.7019  1.0
  C  C2  4  0.0000  0.3310  0.5000  1.0
  N  N3  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl4  4  0.0000  0.1686  0.0000  1.0
]