data_[Ba3Sn1P2Pd9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.5437]
_cell_length_b [6.5437]
_cell_length_c [9.2177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba3SnP2Pd9]
_chemical_formula_sum '[Ba3 Sn1 P2 Pd9]'
_cell_volume [341.8195]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.3583  1.0
  Ba  Ba1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  1  0.0000  0.0000  0.5000  1.0
  P  P3  2  0.3333  0.6667  0.8368  1.0
  Pd  Pd4  6  0.1514  0.3028  0.7224  1.0
  Pd  Pd5  3  0.0000  0.5000  0.0000  1.0
]