data_BiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   4.21
_cell_angle_alpha   125.27
_cell_angle_beta   114.75
_cell_angle_gamma   90.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiAu
_chemical_formula_sum   'Bi1 Au1'
_cell_volume   52.28
_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
  Bi  Bi1  1  0.0  0.0  0.97  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_BiAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   4.21
_cell_length_c   4.21
_cell_angle_alpha   65.25
_cell_angle_beta   62.63
_cell_angle_gamma   62.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiAu
_chemical_formula_sum   'Bi1 Au1'
_cell_volume   52.28
_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
  Bi  Bi0  1  0.97  -0.0  0.03  1.0
  Au  Au1  1  0.0  0.0  0.0  1.0

Bi Au