data_[Y8Cu2I10]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1757]
_cell_length_b [4.1119]
_cell_length_c [8.9179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6691]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y4CuI5]
_chemical_formula_sum '[Y8 Cu2 I10]'
_cell_volume [686.0490]
_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  4  0.0002  0.0000  0.2094  1
  Y  Y1  4  0.1442  0.5000  0.0741  1
  Cu  Cu2  2  0.0000  0.5000  0.0000  1
  I  I3  4  0.1678  0.0000  0.3431  1
  I  I4  4  0.1758  0.0000  0.8278  1
  I  I5  2  0.0000  0.5000  0.5000  1
]