data_[U2Pd2Se2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7278]
_cell_length_b [3.7731]
_cell_length_c [8.6140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7675]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [UPdSeS2]
_chemical_formula_sum '[U2 Pd2 Se2 S4]'
_cell_volume [203.0700]
_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
[
  U  U0  2  0.2854  0.2500  0.7839  1
  Pd  Pd1  2  0.2804  0.7500  0.2988  1
  Se  Se2  2  0.0702  0.2500  0.3825  1
  S  S3  2  0.2836  0.7500  0.0057  1
  S  S4  2  0.4524  0.7500  0.6539  1
]