data_[Y4C4Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8969]
_cell_length_b [3.7627]
_cell_length_c [10.1267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0374]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YCCl]
_chemical_formula_sum '[Y4 C4 Cl4]'
_cell_volume [261.3396]
_cell_formula_units_Z [4]
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  4  0.1462  0.0000  0.1481  1.0
  C  C1  4  0.0714  0.5000  0.9618  1.0
  Cl  Cl2  4  0.1723  0.0000  0.6822  1.0
]