data_[Pa4Sn2Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.3965]
_cell_length_b [4.6448]
_cell_length_c [17.9368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Pa2SnAu3]
_chemical_formula_sum '[Pa4 Sn2 Au6]'
_cell_volume [282.9730]
_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  2  0.0000  0.0000  0.1289  1
  Pa  Pa1  2  0.0000  0.5000  0.8696  1
  Sn  Sn2  2  0.0000  0.5000  0.4631  1
  Au  Au3  2  0.0000  0.0000  0.5393  1
  Au  Au4  2  0.0000  0.0000  0.6910  1
  Au  Au5  2  0.0000  0.5000  0.3081  1
]