data_[Zn2Ga6Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5824]
_cell_length_b [5.0686]
_cell_length_c [6.5962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7083]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZnGa3Sn]
_chemical_formula_sum '[Zn2 Ga6 Sn2]'
_cell_volume [205.8511]
_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
[
  Zn  Zn0  2  0.5000  0.0000  0.5000  1.0
  Ga  Ga1  2  0.0954  0.2500  0.2513  1.0
  Ga  Ga2  2  0.2255  0.7500  0.1420  1.0
  Ga  Ga3  2  0.4498  0.7500  0.8567  1.0
  Sn  Sn4  2  0.1697  0.2500  0.7140  1.0
]