data_[Sr6Sn10Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.6115]
_cell_length_b [13.9779]
_cell_length_c [10.0893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Sr3Sn5Pd6]
_chemical_formula_sum '[Sr6 Sn10 Pd12]'
_cell_volume [650.3404]
_cell_formula_units_Z [2]
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
[
  Sr  Sr0  4  0.0000  0.3247  0.7513  1
  Sr  Sr1  2  0.0000  0.0000  0.7654  1
  Sn  Sn2  4  0.0000  0.1171  0.4792  1
  Sn  Sn3  4  0.0000  0.3348  0.1329  1
  Sn  Sn4  2  0.0000  0.0000  0.1581  1
  Pd  Pd5  4  0.0000  0.1626  0.0042  1
  Pd  Pd6  4  0.0000  0.3057  0.4038  1
  Pd  Pd7  2  0.0000  0.5000  0.4930  1
  Pd  Pd8  2  0.0000  0.5000  0.9883  1
]