data_[Ba16In4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.5520]
_cell_length_b [15.4822]
_cell_length_c [7.5063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6204]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba4InPd]
_chemical_formula_sum '[Ba16 In4 Pd4]'
_cell_volume [1066.0305]
_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
[
  Ba  Ba0  8  0.1165  0.1702  0.0797  1.0
  Ba  Ba1  8  0.2095  0.4345  0.2983  1.0
  In  In2  4  0.0000  0.3666  0.7500  1.0
  Pd  Pd3  4  0.0000  0.0005  0.7500  1.0
]