data_[Y2Sc1Ga4Cu3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [P-4m2]
_cell_length_a [4.0805]
_cell_length_b [4.0805]
_cell_length_c [11.2213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Y2ScGa4Cu3]
_chemical_formula_sum '[Y2 Sc1 Ga4 Cu3]'
_cell_volume [186.8408]
_cell_formula_units_Z [1]
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
[
  Y  Y0  2  0.0000  0.5000  0.7703  1.0
  Sc  Sc1  1  0.5000  0.5000  0.5000  1.0
  Ga  Ga2  2  0.0000  0.5000  0.3405  1.0
  Ga  Ga3  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga4  1  0.5000  0.5000  0.0000  1.0
  Cu  Cu5  2  0.0000  0.5000  0.1275  1.0
  Cu  Cu6  1  0.0000  0.0000  0.5000  1.0
]