data_[Pd3Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.5514]
_cell_length_b [6.6985]
_cell_length_c [19.3120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pd3Se4]
_chemical_formula_sum '[Pd3 Se4]'
_cell_volume [459.4073]
_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
[
  Pd  Pd0  2  0.5000  0.2071  0.4853  1
  Pd  Pd1  1  0.0000  0.5000  0.5453  1
  Se  Se2  2  0.0000  0.3181  0.4036  1
  Se  Se3  1  0.0000  0.0000  0.5501  1
  Se  Se4  1  0.5000  0.5000  0.6269  1
]