data_[Y12Ga6Cu2]
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 [P2_1/c]
_cell_length_a [6.1990]
_cell_length_b [8.3626]
_cell_length_c [11.8939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1204]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Y6Ga3Cu]
_chemical_formula_sum '[Y12 Ga6 Cu2]'
_cell_volume [533.3265]
_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  0.1016  0.0553  0.2444  1
  Y  Y1  4  0.1861  0.6810  0.0672  1
  Y  Y2  4  0.4421  0.1729  0.0675  1
  Ga  Ga3  4  0.3274  0.1123  0.7438  1
  Ga  Ga4  2  0.5000  0.0000  0.5000  1
  Cu  Cu5  2  0.0000  0.0000  0.0000  1
]