data_[Sn4As4Pd12]
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 [P2_1/c]
_cell_length_a [7.7525]
_cell_length_b [5.5461]
_cell_length_c [9.4068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1076]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SnAsPd3]
_chemical_formula_sum '[Sn4 As4 Pd12]'
_cell_volume [353.3761]
_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  4  0.2246  0.6684  0.5453  1.0
  As  As1  4  0.3215  0.1920  0.3719  1.0
  Pd  Pd2  4  0.0400  0.6103  0.7424  1.0
  Pd  Pd3  4  0.1755  0.1657  0.5730  1.0
  Pd  Pd4  4  0.4330  0.6340  0.3476  1.0
]