data_[Pa4Pd4S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0799]
_cell_length_b [3.9833]
_cell_length_c [7.0337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4341]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa2Pd2S5]
_chemical_formula_sum '[Pa4 Pd4 S10]'
_cell_volume [400.8189]
_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
[
  Pa  Pa0  4  0.1337  0.5000  0.0502  1
  Pd  Pd1  4  0.1863  0.0000  0.4533  1
  S  S2  4  0.1007  0.5000  0.3888  1
  S  S3  4  0.1778  0.0000  0.8247  1
  S  S4  2  0.0000  0.0000  0.0000  1
]