data_[Y4Cu8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0421]
_cell_length_b [4.1960]
_cell_length_c [5.4294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2921]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YCu2]
_chemical_formula_sum '[Y4 Cu8]'
_cell_volume [221.6972]
_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  0.1109  0.0000  0.8074  1.0
  Cu  Cu1  4  0.0974  0.5000  0.1994  1.0
  Cu  Cu2  4  0.2222  0.0000  0.3700  1.0
]