data_[Zr4Ga4Pd6]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0162]
_cell_length_b [3.8313]
_cell_length_c [6.3958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6003]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr2Ga2Pd3]
_chemical_formula_sum '[Zr4 Ga4 Pd6]'
_cell_volume [243.2856]
_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
[
  Zr  Zr0  4  0.1236  0.5000  0.3065  1
  Ga  Ga1  4  0.0957  0.0000  0.6427  1
  Pd  Pd2  4  0.1946  0.5000  0.8622  1
  Pd  Pd3  2  0.0000  0.0000  0.0000  1
]