data_[Y16In4Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7317]
_cell_length_b [12.6564]
_cell_length_c [6.2996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7633]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4InCu]
_chemical_formula_sum '[Y16 In4 Cu4]'
_cell_volume [666.6007]
_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  8  0.1103  0.1687  0.0474  1.0
  Y  Y1  8  0.2073  0.4097  0.3998  1.0
  In  In2  4  0.0000  0.3771  0.7500  1.0
  Cu  Cu3  4  0.0000  0.0002  0.2500  1.0
]