data_[Zn6Ga18Cu3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.0279]
_cell_length_b [6.0279]
_cell_length_c [15.3012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Zn2Ga6Cu]
_chemical_formula_sum '[Zn6 Ga18 Cu3]'
_cell_volume [481.4941]
_cell_formula_units_Z [3]
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
[
  Zn  Zn0  3  0.0000  0.0000  0.3125  1.0
  Zn  Zn1  3  0.0000  0.0000  0.4753  1.0
  Ga  Ga2  9  0.0739  0.4070  0.5629  1.0
  Ga  Ga3  9  0.0976  0.7323  0.7399  1.0
  Cu  Cu4  3  0.0000  0.0000  0.6382  1.0
]