data_Si2BMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2BMo
_chemical_formula_sum   'Si2 B1 Mo1'
_cell_volume   51.46
_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
  Si  Si2  1  0.0  0.0  0.03  1.0
  Si  Si3  1  0.61  0.0  0.93  1.0
  B  B0  1  0.0  0.0  0.59  1.0
  Mo  Mo1  1  0.61  0.0  0.07  1.0

data_Si2BMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2BMo
_chemical_formula_sum   'Si2 B1 Mo1'
_cell_volume   51.46
_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
  Si  Si0  1  0.0  0.0  0.03  1.0
  Si  Si1  1  0.61  0.0  0.93  1.0
  B  B2  1  0.0  0.0  0.59  1.0
  Mo  Mo3  1  0.61  0.0  0.07  1.0

Si Si B Mo
Si Si B Mo 0 1 - o - 0 3 - o o 0 2 o o - 1 3 o o + 1 2 + o o 1 2 o o o 2 2 + + o 2 2 o + o 2 2 + o o 