data_[Sn1Pd2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.2589]
_cell_length_b [7.2087]
_cell_length_c [17.6651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Sn(PdSe2)2]
_chemical_formula_sum '[Sn1 Pd2 Se4]'
_cell_volume [669.6828]
_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
[
  Sn  Sn0  1  0.8472  0.5000  0.4306  1
  Pd  Pd1  2  0.6198  0.2078  0.5114  1
  Se  Se2  2  0.1467  0.2496  0.5139  1
  Se  Se3  1  0.5220  0.5000  0.5815  1
  Se  Se4  1  0.9080  0.0000  0.4372  1
]