data_[Zn2Pd1Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.0918]
_cell_length_b [8.7321]
_cell_length_c [17.3478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Zn2PdSe3]
_chemical_formula_sum '[Zn2 Pd1 Se3]'
_cell_volume [619.8408]
_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
[
  Zn  Zn0  2  0.2770  0.2927  0.5174  1
  Pd  Pd1  1  0.7778  0.5000  0.4630  1
  Se  Se2  2  0.7647  0.2128  0.4556  1
  Se  Se3  1  0.0356  0.5000  0.5909  1
]