data_Bi2MoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.04
_cell_length_b   9.04
_cell_length_c   9.04
_cell_angle_alpha   22.31
_cell_angle_beta   22.31
_cell_angle_gamma   22.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2MoAu
_chemical_formula_sum   'Bi2 Mo1 Au1'
_cell_volume   93.27
_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  0.75  1.0
  Bi  Bi2  1  0.0  0.0  0.68  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.21  1.0

data_Bi2MoAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.06
_cell_length_b   3.5
_cell_length_c   9.04
_cell_angle_alpha   90.0
_cell_angle_beta   102.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Bi2MoAu
_chemical_formula_sum   'Bi4 Mo2 Au2'
_cell_volume   186.53
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.25  1.0
  Bi  Bi1  2  0.0  0.0  0.32  1.0
  Mo  Mo2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  0.0  0.0  0.79  1.0

Bi Bi Mo Au