data_[Sc8Ga8Cu4]
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 [C2/m]
_cell_length_a [9.9882]
_cell_length_b [4.1528]
_cell_length_c [9.7658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8209]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc2Ga2Cu]
_chemical_formula_sum '[Sc8 Ga8 Cu4]'
_cell_volume [361.4970]
_cell_formula_units_Z [4]
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  0.0124  0.5000  0.3317  1.0
  Sc  Sc1  4  0.1796  0.5000  0.1027  1.0
  Ga  Ga2  4  0.0278  0.0000  0.8827  1.0
  Ga  Ga3  4  0.1439  0.0000  0.5680  1.0
  Cu  Cu4  4  0.2222  0.0000  0.3439  1.0
]