data_[Y16Ga4Cu2]
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 [C2/m]
_cell_length_a [18.4060]
_cell_length_b [4.9665]
_cell_length_c [6.6368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y8Ga2Cu]
_chemical_formula_sum '[Y16 Ga4 Cu2]'
_cell_volume [591.9270]
_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  0.0241  0.0000  0.7792  1.0
  Y  Y1  4  0.0913  0.5000  0.4598  1.0
  Y  Y2  4  0.1556  0.5000  0.9765  1.0
  Y  Y3  4  0.2076  0.0000  0.3157  1.0
  Ga  Ga4  4  0.1880  0.0000  0.7543  1.0
  Cu  Cu5  2  0.0000  0.5000  0.0000  1.0
]