data_[Y4Cd4Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.7836]
_cell_length_b [4.1774]
_cell_length_c [10.6060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [YCdGa2]
_chemical_formula_sum '[Y4 Cd4 Ga8]'
_cell_volume [344.8585]
_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  0.1418  0.2500  0.1382  1
  Cd  Cd1  4  0.0063  0.7500  0.3900  1
  Ga  Ga2  4  0.1418  0.2500  0.8335  1
  Ga  Ga3  4  0.2394  0.7500  0.9420  1
]