data_[Sc6Ga4Cu18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1361]
_cell_length_b [8.3988]
_cell_length_c [12.0350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sc3Ga2Cu9]
_chemical_formula_sum '[Sc6 Ga4 Cu18]'
_cell_volume [418.0774]
_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
[
  Sc  Sc0  4  0.0000  0.0000  0.2910  1.0
  Sc  Sc1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.0000  0.1881  0.5000  1.0
  Cu  Cu3  8  0.0000  0.2847  0.1335  1.0
  Cu  Cu4  8  0.0000  0.3577  0.3331  1.0
  Cu  Cu5  2  0.0000  0.5000  0.0000  1.0
]