data_[Sc4Ga10Fe4Cu2]
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
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.8832]
_cell_length_b [8.8832]
_cell_length_c [3.9913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Sc2Ga5Fe2Cu]
_chemical_formula_sum '[Sc4 Ga10 Fe4 Cu2]'
_cell_volume [314.9613]
_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  0.1855  0.3145  0.0000  1
  Ga  Ga1  8  0.0628  0.7930  0.5000  1
  Ga  Ga2  2  0.0000  0.5000  0.5000  1
  Fe  Fe3  4  0.1061  0.6061  0.0000  1
  Cu  Cu4  2  0.0000  0.0000  0.0000  1
]