data_[Zn12Ga8Pd4]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.1712]
_cell_length_b [11.0928]
_cell_length_c [8.5483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4983]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn3Ga2Pd]
_chemical_formula_sum '[Zn12 Ga8 Pd4]'
_cell_volume [386.1562]
_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
[
  Zn  Zn0  8  0.0721  0.1742  0.2236  1.0
  Zn  Zn1  4  0.0681  0.5000  0.2471  1.0
  Ga  Ga2  4  0.0000  0.3304  0.5000  1.0
  Ga  Ga3  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga4  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd5  4  0.0000  0.3506  0.0000  1.0
]