data_[Y6Zn6Ga16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2286]
_cell_length_b [10.0010]
_cell_length_c [12.4914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Y3Zn3Ga8]
_chemical_formula_sum '[Y6 Zn6 Ga16]'
_cell_volume [528.2638]
_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  4  0.0000  0.0000  0.1863  1.0
  Y  Y1  2  0.0000  0.0000  0.5000  1.0
  Zn  Zn2  4  0.0000  0.2029  0.0000  1.0
  Zn  Zn3  2  0.0000  0.5000  0.5000  1.0
  Ga  Ga4  8  0.0000  0.2800  0.3610  1.0
  Ga  Ga5  8  0.0000  0.3726  0.1582  1.0
]