data_[Ba4Rh1Au1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Rh  2.2800  1.3500  0.7450
  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 [7.9674]
_cell_length_b [4.6022]
_cell_length_c [8.7773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1518]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba4RhAuBr2]
_chemical_formula_sum '[Ba4 Rh1 Au1 Br2]'
_cell_volume [307.5309]
_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
[
  Ba  Ba0  2  0.2566  0.5000  0.2192  1.0
  Ba  Ba1  2  0.2750  0.0000  0.7867  1.0
  Rh  Rh2  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
]