data_[Y4Ga16Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [16.8445]
_cell_length_b [4.2570]
_cell_length_c [6.6012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Y(Ga2Cu)2]
_chemical_formula_sum '[Y4 Ga16 Cu8]'
_cell_volume [473.3541]
_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  0.1403  0.7500  0.5119  1
  Ga  Ga1  4  0.0332  0.2500  0.3454  1
  Ga  Ga2  4  0.0693  0.7500  0.9850  1
  Ga  Ga3  4  0.1837  0.2500  0.8222  1
  Ga  Ga4  4  0.1906  0.2500  0.2213  1
  Cu  Cu5  4  0.0363  0.2500  0.7459  1
  Cu  Cu6  4  0.2178  0.7500  0.0268  1
]