data_BMoAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   3.57
_cell_angle_alpha   102.79
_cell_angle_beta   102.79
_cell_angle_gamma   24.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BMoAu2
_chemical_formula_sum   'B1 Mo1 Au2'
_cell_volume   60.01
_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
  B  B2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.85  0.0  0.74  1.0
  Au  Au0  1  0.27  0.0  0.58  1.0
  Au  Au1  1  0.42  0.0  0.9  1.0

data_BMoAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   3.57
_cell_length_c   6.4
_cell_angle_alpha   102.79
_cell_angle_beta   102.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BMoAu2
_chemical_formula_sum   'B1 Mo1 Au2'
_cell_volume   60.01
_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
  B  B0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.74  0.85  1.0
  Au  Au2  1  0.0  0.58  0.27  1.0
  Au  Au3  1  0.0  0.9  0.42  1.0

B Mo Au Au