data_[Zr2Ga6Pd12]
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 [P2_1/m]
_cell_length_a [8.5873]
_cell_length_b [3.8677]
_cell_length_c [10.4158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zr(GaPd2)3]
_chemical_formula_sum '[Zr2 Ga6 Pd12]'
_cell_volume [336.0735]
_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  2  0.0263  0.2500  0.7425  1
  Ga  Ga1  2  0.1211  0.2500  0.0850  1
  Ga  Ga2  2  0.2869  0.7500  0.4494  1
  Ga  Ga3  2  0.3903  0.2500  0.8224  1
  Pd  Pd4  2  0.0964  0.2500  0.4670  1
  Pd  Pd5  2  0.1893  0.7500  0.9331  1
  Pd  Pd6  2  0.2375  0.7500  0.6806  1
  Pd  Pd7  2  0.2847  0.7500  0.2104  1
  Pd  Pd8  2  0.4344  0.2500  0.5832  1
  Pd  Pd9  2  0.4348  0.2500  0.0767  1
]