data_[Y10Sc8Ga8]
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
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [11.8262]
_cell_length_b [11.8262]
_cell_length_c [4.5720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Y5(ScGa)4]
_chemical_formula_sum '[Y10 Sc8 Ga8]'
_cell_volume [639.4266]
_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
[
  Y  Y0  8  0.1188  0.8042  0.5000  1
  Y  Y1  2  0.0000  0.0000  0.0000  1
  Sc  Sc2  8  0.0872  0.3985  0.5000  1
  Ga  Ga3  8  0.0758  0.2469  0.0000  1
]