data_B5Mo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B5Mo4
_chemical_formula_sum   'B10 Mo8'
_cell_volume   191.41
_cell_formula_units_Z   2
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  0.44  0.23  0.53  1.0
  B  B1  1  0.97  0.0  0.53  1.0
  B  B2  1  0.02  0.7  0.53  1.0
  B  B3  1  0.98  0.7  0.18  1.0
  B  B4  1  0.88  0.0  0.18  1.0
  B  B5  1  0.56  0.23  0.18  1.0
  B  B6  1  0.0  0.95  0.36  1.0
  B  B7  1  0.42  0.98  0.0  1.0
  B  B8  1  0.42  0.98  0.36  1.0
  B  B9  1  0.0  0.95  0.0  1.0
  Mo  Mo10  1  0.0  0.0  0.36  1.0
  Mo  Mo11  1  0.0  0.0  0.0  1.0
  Mo  Mo12  1  0.31  0.27  0.53  1.0
  Mo  Mo13  1  0.23  0.0  0.53  1.0
  Mo  Mo14  1  0.88  0.67  0.53  1.0
  Mo  Mo15  1  0.12  0.67  0.18  1.0
  Mo  Mo16  1  0.62  0.0  0.18  1.0
  Mo  Mo17  1  0.69  0.27  0.18  1.0

data_B5Mo4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.71
_cell_length_b   6.85
_cell_length_c   6.85
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B5Mo4
_chemical_formula_sum   'B10 Mo8'
_cell_volume   191.41
_cell_formula_units_Z   2
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  0.95  1.0
  B  B1  1  0.0  0.42  0.98  1.0
  B  B2  1  0.18  0.56  0.23  1.0
  B  B3  1  0.18  0.88  0.0  1.0
  B  B4  1  0.18  0.98  0.7  1.0
  B  B5  1  0.36  0.0  0.95  1.0
  B  B6  1  0.36  0.42  0.98  1.0
  B  B7  1  0.53  0.02  0.7  1.0
  B  B8  1  0.53  0.44  0.23  1.0
  B  B9  1  0.53  0.97  0.0  1.0
  Mo  Mo10  1  0.0  0.0  0.0  1.0
  Mo  Mo11  1  0.18  0.12  0.67  1.0
  Mo  Mo12  1  0.18  0.62  0.0  1.0
  Mo  Mo13  1  0.18  0.69  0.27  1.0
  Mo  Mo14  1  0.36  0.0  0.0  1.0
  Mo  Mo15  1  0.53  0.23  0.0  1.0
  Mo  Mo16  1  0.53  0.31  0.27  1.0
  Mo  Mo17  1  0.53  0.88  0.67  1.0

B B B B B B B B B B Mo Mo Mo Mo Mo Mo Mo Mo
B B B B B B B B B B Mo Mo Mo Mo Mo Mo Mo Mo 0 12 o o o 0 8 o - o 0 13 o o o 1 6 + - o 1 10 + o o 1 13 + o o 2 14 - o o 2 13 o + o 3 15 + o o 4 9 + - o 4 6 + - o 4 11 + o o 4 10 + o o 4 16 o o o 5 17 o o o 5 7 o - o 5 8 o - o 5 16 o o o 6 10 o + o 6 13 o + o 7 16 o + o 7 8 o o o 8 13 o + o 8 16 o + o 9 11 o + o 10 13 o o o 12 13 o o o 16 17 o o o 