data_[As2Pd28Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.1625]
_cell_length_b [5.5902]
_cell_length_c [9.6556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [AsPd14Pt]
_chemical_formula_sum '[As2 Pd28 Pt2]'
_cell_volume [494.5591]
_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  2  0.5000  0.0000  0.5260  1
  Pd  Pd1  8  0.2527  0.2491  0.6256  1
  Pd  Pd2  4  0.0000  0.2492  0.4595  1
  Pd  Pd3  4  0.2484  0.0000  0.8763  1
  Pd  Pd4  4  0.2519  0.0000  0.3770  1
  Pd  Pd5  4  0.5000  0.2476  0.7926  1
  Pd  Pd6  2  0.0000  0.0000  0.2090  1
  Pd  Pd7  2  0.0000  0.0000  0.7090  1
  Pt  Pt8  2  0.5000  0.0000  0.0425  1
]