data_[Re4P2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1119]
_cell_length_b [2.9334]
_cell_length_c [4.8539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0510]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Re2PAu]
_chemical_formula_sum '[Re4 P2 Au2]'
_cell_volume [129.7421]
_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
[
  Re  Re0  2  0.2614  0.0000  0.1900  1
  Re  Re1  2  0.4848  0.5000  0.9951  1
  P  P2  2  0.2229  0.5000  0.8297  1
  Au  Au3  2  0.0309  0.5000  0.4852  1
]