data_[Sc6Ga18Cu4]
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 [4.0366]
_cell_length_b [9.9603]
_cell_length_c [11.7890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sc3Ga9Cu2]
_chemical_formula_sum '[Sc6 Ga18 Cu4]'
_cell_volume [473.9904]
_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  0.3156  1
  Sc  Sc1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  8  0.0000  0.2837  0.1360  1
  Ga  Ga3  8  0.0000  0.3755  0.3451  1
  Ga  Ga4  2  0.0000  0.5000  0.0000  1
  Cu  Cu5  4  0.0000  0.2036  0.5000  1
]