data_[Y4Cu4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.4893]
_cell_length_b [13.2727]
_cell_length_c [8.1102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [YCuCl5]
_chemical_formula_sum '[Y4 Cu4 Cl20]'
_cell_volume [791.2635]
_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  0.0000  0.4608  0.7500  1.0
  Cu  Cu1  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.0992  0.3894  0.4660  1.0
  Cl  Cl3  8  0.1825  0.1267  0.1281  1.0
  Cl  Cl4  4  0.0000  0.0823  0.7500  1.0
]