data_[Ba4Sr12Pd4]
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 [Imma]
_cell_length_a [6.1180]
_cell_length_b [6.1747]
_cell_length_c [24.9601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [BaSr3Pd]
_chemical_formula_sum '[Ba4 Sr12 Pd4]'
_cell_volume [942.9218]
_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  0.0000  0.2500  0.1845  1.0
  Sr  Sr1  4  0.0000  0.2500  0.4431  1.0
  Sr  Sr2  4  0.0000  0.2500  0.6857  1.0
  Sr  Sr3  4  0.0000  0.2500  0.9389  1.0
  Pd  Pd4  4  0.0000  0.2500  0.5669  1.0
]