data_[Y6Zn6Ga2]
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 [Imm2]
_cell_length_a [3.6418]
_cell_length_b [4.4488]
_cell_length_c [19.2327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Y3Zn3Ga]
_chemical_formula_sum '[Y6 Zn6 Ga2]'
_cell_volume [311.6007]
_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  2  0.0000  0.0000  0.0002  1
  Y  Y1  2  0.0000  0.5000  0.1925  1
  Y  Y2  2  0.0000  0.5000  0.8080  1
  Zn  Zn3  2  0.0000  0.0000  0.4328  1
  Zn  Zn4  2  0.0000  0.5000  0.3608  1
  Zn  Zn5  2  0.0000  0.5000  0.6405  1
  Ga  Ga6  2  0.0000  0.0000  0.5651  1
]