data_[Sb3As3Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.7742]
_cell_length_b [3.7742]
_cell_length_c [19.3058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SbAsPd2]
_chemical_formula_sum '[Sb3 As3 Pd6]'
_cell_volume [238.1649]
_cell_formula_units_Z [3]
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
[
  Sb  Sb0  3  0.0000  0.0000  0.3317  1
  As  As1  3  0.0000  0.0000  0.5011  1
  Pd  Pd2  3  0.0000  0.0000  0.7614  1
  Pd  Pd3  3  0.0000  0.0000  0.9058  1
]