data_[Sn3Mo3Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Mo  2.1600  1.4500  0.7750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.8602]
_cell_length_b [7.8602]
_cell_length_c [2.9307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [SnMoPd]
_chemical_formula_sum '[Sn3 Mo3 Pd3]'
_cell_volume [156.8078]
_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
[
  Sn  Sn0  3  0.0000  0.3025  0.5000  1
  Mo  Mo1  3  0.0000  0.6318  0.0000  1
  Pd  Pd2  2  0.3333  0.6667  0.5000  1
  Pd  Pd3  1  0.0000  0.0000  0.0000  1
]