data_[Ba8Sr24Pd8]
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/c]
_cell_length_a [14.4753]
_cell_length_b [16.6183]
_cell_length_c [7.8046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3729]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaSr3Pd]
_chemical_formula_sum '[Ba8 Sr24 Pd8]'
_cell_volume [1861.9031]
_cell_formula_units_Z [8]
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  0.1229  0.2968  0.6001  1.0
  Sr  Sr1  8  0.1202  0.0466  0.4786  1.0
  Sr  Sr2  8  0.1210  0.1873  0.0618  1.0
  Sr  Sr3  8  0.1263  0.4337  0.1280  1.0
  Pd  Pd4  4  0.0000  0.1040  0.7500  1.0
  Pd  Pd5  4  0.0000  0.3039  0.2500  1.0
]