data_[Yb8Cu16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.0010]
_cell_length_b [9.2573]
_cell_length_c [8.4197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [YbCu2]
_chemical_formula_sum '[Yb8 Cu16]'
_cell_volume [389.7969]
_cell_formula_units_Z [8]
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
[
  Yb  Yb0  8  0.0000  0.3370  0.0599  1.0
  Cu  Cu1  8  0.2499  0.0863  0.2500  1.0
  Cu  Cu2  4  0.0000  0.0000  0.0000  1.0
  Cu  Cu3  4  0.0000  0.1623  0.7500  1.0
]