data_CrRe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   131.17
_cell_angle_beta   131.17
_cell_angle_gamma   71.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRe2Au
_chemical_formula_sum   'Cr1 Re2 Au1'
_cell_volume   58.97
_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
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.96  0.0  0.92  1.0
  Re  Re3  1  0.0  0.0  0.84  1.0
  Au  Au0  1  0.0  0.96  0.92  1.0

data_CrRe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   4.74
_cell_angle_alpha   114.42
_cell_angle_beta   114.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRe2Au
_chemical_formula_sum   'Cr1 Re2 Au1'
_cell_volume   58.97
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.84  0.84  0.84  1.0
  Re  Re2  1  0.92  0.96  0.96  1.0
  Au  Au3  1  0.96  0.92  0.96  1.0

Cr Re Re Au