data_[Sn8As4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.6937]
_cell_length_b [6.8836]
_cell_length_c [5.8031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sn2AsPd3]
_chemical_formula_sum '[Sn8 As4 Pd12]'
_cell_volume [467.1185]
_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
[
  Sn  Sn0  8  0.1769  0.1650  0.8035  1.0
  As  As1  4  0.0000  0.2975  0.2040  1.0
  Pd  Pd2  8  0.1308  0.4567  0.5051  1.0
  Pd  Pd3  4  0.0000  0.0510  0.5188  1.0
]