data_[Ba2Sr6Pd2]
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 [P-1]
_cell_length_a [7.5126]
_cell_length_b [8.4559]
_cell_length_c [8.5443]
_cell_angle_alpha [117.6141]
_cell_angle_beta [90.2583]
_cell_angle_gamma [90.1563]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaSr3Pd]
_chemical_formula_sum '[Ba2 Sr6 Pd2]'
_cell_volume [480.9363]
_cell_formula_units_Z [2]
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  2  0.3309  0.6302  0.8677  1
  Sr  Sr1  2  0.1672  0.1218  0.8598  1
  Sr  Sr2  2  0.1762  0.6345  0.3749  1
  Sr  Sr3  2  0.3209  0.1342  0.3756  1
  Pd  Pd4  1  0.0000  0.0000  0.5000  1
  Pd  Pd5  1  0.5000  0.5000  0.5000  1
]