data_[Zr3Ga3Ge2Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.8385]
_cell_length_b [6.8385]
_cell_length_c [3.9595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Zr3Ga3Ge2Pd]
_chemical_formula_sum '[Zr3 Ga3 Ge2 Pd1]'
_cell_volume [160.3600]
_cell_formula_units_Z [1]
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
[
  Zr  Zr0  3  0.0000  0.5765  0.0000  1
  Ga  Ga1  3  0.0000  0.2433  0.5000  1
  Ge  Ge2  2  0.3333  0.6667  0.5000  1
  Pd  Pd3  1  0.0000  0.0000  0.0000  1
]