data_Sn2BMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.66
_cell_length_b   7.66
_cell_length_c   7.66
_cell_angle_alpha   24.77
_cell_angle_beta   24.77
_cell_angle_gamma   24.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2BMo
_chemical_formula_sum   'Sn2 B1 Mo1'
_cell_volume   69.39
_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
  Sn  Sn2  1  0.0  0.0  0.42  1.0
  Sn  Sn3  1  0.0  0.0  0.84  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.13  1.0

data_Sn2BMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.69
_cell_length_b   3.29
_cell_length_c   7.66
_cell_angle_alpha   90.0
_cell_angle_beta   104.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sn2BMo
_chemical_formula_sum   'Sn4 B2 Mo2'
_cell_volume   138.78
_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
  Sn  Sn0  2  -0.0  0.0  0.58  1.0
  Sn  Sn1  2  0.0  0.0  0.16  1.0
  B  B2  2  0.0  0.0  0.0  1.0
  Mo  Mo3  2  0.0  0.0  0.87  1.0

Sn Sn B Mo
Sn Sn B Mo 0 3 o o o 1 2 o o + 2 3 o o o 