data_[Ba2Pr2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pr  1.1300  1.8500  1.0600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1665]
_cell_length_b [4.9534]
_cell_length_c [7.7666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6255]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaPrAu2]
_chemical_formula_sum '[Ba2 Pr2 Au4]'
_cell_volume [236.4577]
_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
[
  Ba  Ba0  2  0.1411  0.2500  0.1873  1
  Pr  Pr1  2  0.3634  0.2500  0.6768  1
  Au  Au2  2  0.1666  0.7500  0.4745  1
  Au  Au3  2  0.3732  0.7500  0.9465  1
]