data_B5Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   2.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B5Mo
_chemical_formula_sum   'B5 Mo1'
_cell_volume   44.04
_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  0.07  0.2  0.0  1.0
  B  B1  1  0.0  0.39  0.0  1.0
  B  B2  1  0.96  0.79  0.48  1.0
  B  B3  1  0.04  0.79  0.48  1.0
  B  B4  1  0.07  0.0  0.48  1.0
  Mo  Mo5  1  0.0  0.0  0.0  1.0

data_B5Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.14
_cell_length_c   4.14
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B5Mo
_chemical_formula_sum   'B5 Mo1'
_cell_volume   44.04
_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  0.07  0.2  1.0
  B  B1  1  0.0  0.0  0.39  1.0
  B  B2  1  0.48  0.04  0.79  1.0
  B  B3  1  0.48  0.07  0.0  1.0
  B  B4  1  0.48  0.96  0.79  1.0
  Mo  Mo5  1  0.0  0.0  0.0  1.0

B B B B B Mo
B B B B B Mo 0 5 o o o 0 1 o o o 2 3 + o o 2 4 + + o 3 4 o + o 