data_[Pd4Se4F4]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5885]
_cell_length_b [5.4022]
_cell_length_c [6.3300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7526]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PdSeF]
_chemical_formula_sum '[Pd4 Se4 F4]'
_cell_volume [210.6797]
_cell_formula_units_Z [4]
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  4  0.2409  0.5089  0.7360  1
  Se  Se1  4  0.3709  0.1121  0.6361  1
  F  F2  4  0.0896  0.6455  0.3756  1
]