data_[Pr4Ru1Au1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ru  2.2000  1.3000  0.6610
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4240]
_cell_length_b [4.2215]
_cell_length_c [8.2290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5104]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4RuAuBr2]
_chemical_formula_sum '[Pr4 Ru1 Au1 Br2]'
_cell_volume [245.9527]
_cell_formula_units_Z [1]
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
[
  Pr  Pr0  2  0.2611  0.5000  0.2016  1.0
  Pr  Pr1  2  0.2766  0.0000  0.8014  1.0
  Ru  Ru2  1  0.5000  0.5000  0.0000  1.0
  Au  Au3  1  0.0000  0.0000  0.0000  1.0
  Br  Br4  1  0.0000  0.5000  0.5000  1.0
  Br  Br5  1  0.5000  0.0000  0.5000  1.0
]