data_[Ba4Ga2Sn2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5907]
_cell_length_b [5.8070]
_cell_length_c [8.6126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.1949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2GaSnPd6]
_chemical_formula_sum '[Ba4 Ga2 Sn2 Pd12]'
_cell_volume [473.8392]
_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
[
  Ba  Ba0  4  0.2456  0.0000  0.2912  1.0
  Ga  Ga1  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn2  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd3  8  0.0250  0.2557  0.7795  1.0
  Pd  Pd4  4  0.2468  0.5000  0.1091  1.0
]