data_[Sr4Sn8Pd1]
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 [Pmm2]
_cell_length_a [4.7620]
_cell_length_b [4.7775]
_cell_length_c [17.3188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sr4Sn8Pd]
_chemical_formula_sum '[Sr4 Sn8 Pd1]'
_cell_volume [394.0147]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.9131  1
  Sr  Sr1  1  0.0000  0.5000  0.0841  1
  Sr  Sr2  1  0.5000  0.0000  0.3910  1
  Sr  Sr3  1  0.5000  0.5000  0.6077  1
  Sn  Sn4  1  0.0000  0.0000  0.2365  1
  Sn  Sn5  1  0.0000  0.0000  0.5438  1
  Sn  Sn6  1  0.0000  0.5000  0.4414  1
  Sn  Sn7  1  0.0000  0.5000  0.7694  1
  Sn  Sn8  1  0.5000  0.0000  0.1054  1
  Sn  Sn9  1  0.5000  0.0000  0.7721  1
  Sn  Sn10  1  0.5000  0.5000  0.2342  1
  Sn  Sn11  1  0.5000  0.5000  0.8998  1
  Pd  Pd12  1  0.0000  0.0000  0.6986  1
]