data_CrBAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   2.71
_cell_angle_alpha   99.76
_cell_angle_beta   99.76
_cell_angle_gamma   118.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrBAu2
_chemical_formula_sum   'Cr1 B1 Au2'
_cell_volume   58.14
_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  Cr3  1  0.6  0.0  0.0  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.85  0.81  0.28  1.0
  Au  Au1  1  0.85  0.19  0.28  1.0

data_CrBAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.99
_cell_length_c   5.09
_cell_angle_alpha   115.97
_cell_angle_beta   99.76
_cell_angle_gamma   101.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrBAu2
_chemical_formula_sum   'Cr1 B1 Au2'
_cell_volume   58.14
_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  0.6  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.09  0.81  0.66  1.0
  Au  Au3  1  0.47  0.19  0.04  1.0

Cr B Au Au