data_[Ba4Ag4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2150]
_cell_length_b [4.7263]
_cell_length_c [6.0218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaAgPd]
_chemical_formula_sum '[Ba4 Ag4 Pd4]'
_cell_volume [333.8918]
_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  4  0.1146  0.5000  0.7998  1.0
  Ag  Ag1  4  0.0966  0.0000  0.2202  1.0
  Pd  Pd2  4  0.2151  0.5000  0.3737  1.0
]