data_[Ba4Sr16Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.9223]
_cell_length_b [8.3966]
_cell_length_c [7.2029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2520]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaSr4Pd]
_chemical_formula_sum '[Ba4 Sr16 Pd4]'
_cell_volume [1150.6950]
_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  0.1976  0.0000  0.1834  1.0
  Sr  Sr1  8  0.1063  0.2544  0.6132  1.0
  Sr  Sr2  4  0.0000  0.2539  0.0000  1.0
  Sr  Sr3  4  0.1771  0.5000  0.2093  1.0
  Pd  Pd4  4  0.0211  0.5000  0.3273  1.0
]