data_[Na2Pd2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8731]
_cell_length_b [4.4618]
_cell_length_c [5.9334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8916]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaPdSe]
_chemical_formula_sum '[Na2 Pd2 Se2]'
_cell_volume [149.5411]
_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
[
  Na  Na0  2  0.3169  0.2500  0.7385  1.0
  Pd  Pd1  2  0.1269  0.7500  0.0882  1.0
  Se  Se2  2  0.2742  0.2500  0.2330  1.0
]