data_[Y6Zn16Ga6]
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 [4.2866]
_cell_length_b [9.7078]
_cell_length_c [12.5196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Y3Zn8Ga3]
_chemical_formula_sum '[Y6 Zn16 Ga6]'
_cell_volume [520.9803]
_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  0.1885  1.0
  Y  Y1  2  0.0000  0.0000  0.5000  1.0
  Zn  Zn2  8  0.0000  0.2713  0.3574  1.0
  Zn  Zn3  8  0.0000  0.3709  0.1635  1.0
  Ga  Ga4  4  0.0000  0.2129  0.0000  1.0
  Ga  Ga5  2  0.0000  0.5000  0.5000  1.0
]