data_[Y12C4S2Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5333]
_cell_length_b [11.2924]
_cell_length_c [6.7023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5546]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6C2SCl2]
_chemical_formula_sum '[Y12 C4 S2 Cl4]'
_cell_volume [471.4500]
_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  0.2477  0.1763  0.7095  1.0
  Y  Y1  4  0.2016  0.5000  0.7125  1.0
  C  C2  4  0.0000  0.3312  0.5000  1.0
  S  S3  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl4  4  0.0000  0.1589  0.0000  1.0
]