data_[Re1Ag2B1Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Ag  1.9300  1.6000  1.0867
  B  2.0400  0.8500  0.4100
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1792]
_cell_length_b [5.1792]
_cell_length_c [3.9773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [ReAg2BAu]
_chemical_formula_sum '[Re1 Ag2 B1 Au1]'
_cell_volume [106.6893]
_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
[
  Re  Re0  1  0.5000  0.5000  0.5000  1
  Ag  Ag1  2  0.0000  0.5000  0.0000  1
  B  B2  1  0.0000  0.0000  0.5000  1
  Au  Au3  1  0.0000  0.0000  0.0000  1
]