data_BiMo2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   9.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiMo2Au
_chemical_formula_sum   'Bi1 Mo2 Au1'
_cell_volume   80.44
_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  0.74  0.0  0.19  1.0
  Mo  Mo2  1  0.0  0.0  0.17  1.0
  Mo  Mo3  1  0.74  0.0  0.31  1.0
  Au  Au0  1  0.0  0.0  0.09  1.0

data_BiMo2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   9.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiMo2Au
_chemical_formula_sum   'Bi1 Mo2 Au1'
_cell_volume   80.44
_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  0.74  0.0  0.19  1.0
  Mo  Mo1  1  0.0  0.0  0.17  1.0
  Mo  Mo2  1  0.74  0.0  0.31  1.0
  Au  Au3  1  0.0  0.0  0.09  1.0

Bi Mo Mo Au
Bi Mo Mo Au 0 1 + o o 0 2 o o o 1 3 o o o 