data_[Y4Sc12Ga8]
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 [Immm]
_cell_length_a [4.4192]
_cell_length_b [8.8448]
_cell_length_c [14.2581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [YSc3Ga2]
_chemical_formula_sum '[Y4 Sc12 Ga8]'
_cell_volume [557.2980]
_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
[
  Y  Y0  4  0.0000  0.5000  0.3736  1.0
  Sc  Sc1  8  0.0000  0.3073  0.1713  1.0
  Sc  Sc2  4  0.0000  0.1688  0.5000  1.0
  Ga  Ga3  4  0.0000  0.0000  0.2940  1.0
  Ga  Ga4  4  0.0000  0.1438  0.0000  1.0
]