data_[As4H2Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.0788]
_cell_length_b [6.4140]
_cell_length_c [6.5701]
_cell_angle_alpha [106.6441]
_cell_angle_beta [112.3766]
_cell_angle_gamma [104.8051]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [As2HPd4]
_chemical_formula_sum '[As4 H2 Pd8]'
_cell_volume [206.8495]
_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
[
  As  As0  1  0.1379  0.3294  0.7147  1
  As  As1  1  0.3844  0.9224  0.8170  1
  As  As2  1  0.5593  0.3490  0.5051  1
  As  As3  1  0.8872  0.4254  0.0451  1
  Pd  Pd4  1  0.1804  0.9952  0.4334  1
  Pd  Pd5  1  0.2082  0.1664  0.0508  1
  Pd  Pd6  1  0.2544  0.5573  0.4541  1
  Pd  Pd7  1  0.2836  0.7209  0.0733  1
  Pd  Pd8  1  0.6955  0.0243  0.6378  1
  Pd  Pd9  1  0.7007  0.6004  0.2985  1
  Pd  Pd10  1  0.7434  0.7332  0.9108  1
  Pd  Pd11  1  0.7591  0.1558  0.2688  1
  H  H12  1  0.7976  0.8616  0.2409  1
  H  H13  1  0.9084  0.9087  0.7997  1
]