data_HoB4Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   11.62
_cell_length_c   3.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoB4Mo
_chemical_formula_sum   'Ho4 B16 Mo4'
_cell_volume   252.39
_cell_formula_units_Z   4
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
  Ho  Ho16  1  0.77  0.74  0.81  1.0
  Ho  Ho17  1  0.77  0.07  0.81  1.0
  Ho  Ho18  1  0.24  0.55  0.81  1.0
  Ho  Ho19  1  0.25  0.88  0.81  1.0
  B  B0  1  0.22  0.37  0.0  1.0
  B  B1  1  0.32  0.55  0.0  1.0
  B  B2  1  0.86  0.25  0.0  1.0
  B  B3  1  0.74  0.17  0.0  1.0
  B  B4  1  0.73  0.64  0.0  1.0
  B  B5  1  0.87  0.56  0.0  1.0
  B  B6  1  0.33  0.26  0.0  1.0
  B  B7  1  0.21  0.44  0.0  1.0
  B  B8  1  0.81  0.18  0.0  1.0
  B  B9  1  0.69  0.36  0.0  1.0
  B  B10  1  0.14  0.06  0.0  1.0
  B  B11  1  0.29  0.98  0.0  1.0
  B  B12  1  0.28  0.45  0.0  1.0
  B  B13  1  0.15  0.37  0.0  1.0
  B  B14  1  0.7  0.07  0.0  1.0
  B  B15  1  0.8  0.25  0.0  1.0
  Mo  Mo20  1  0.79  0.97  0.81  1.0
  Mo  Mo21  1  0.78  0.84  0.81  1.0
  Mo  Mo22  1  0.23  0.78  0.81  1.0
  Mo  Mo23  1  0.22  0.65  0.81  1.0

data_HoB4Mo
_symmetry_space_group_name_H-M   P2
_cell_length_a   6.01
_cell_length_b   3.61
_cell_length_c   11.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   HoB4Mo
_chemical_formula_sum   'Ho4 B16 Mo4'
_cell_volume   252.39
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ho  Ho0  2  0.23  0.19  0.24  1.0
  Ho  Ho1  2  0.24  0.19  0.57  1.0
  B  B2  2  0.14  -0.0  0.75  1.0
  B  B3  2  0.14  -0.0  0.06  1.0
  B  B4  2  0.2  -0.0  0.13  1.0
  B  B5  2  0.21  -0.0  0.06  1.0
  B  B6  2  0.27  -0.0  0.14  1.0
  B  B7  2  0.28  -0.0  0.67  1.0
  B  B8  2  0.31  -0.0  0.24  1.0
  B  B9  2  0.32  -0.0  0.95  1.0
  Mo  Mo10  2  0.22  0.19  0.34  1.0
  Mo  Mo11  2  0.22  0.19  0.47  1.0

Ho Ho Ho Ho B B B B B B B B B B B B B B B B Mo Mo Mo Mo
Ho Ho Ho Ho B B B B B B B B B B B B B B B B Mo Mo Mo Mo 0 8 o o + 0 21 o o o 1 18 o o + 1 20 o - o 2 5 o o + 2 23 o o o 3 22 o o o 3 15 o o + 4 17 o o o 4 10 o o o 6 19 o o o 6 13 o o o 7 12 o o o 8 9 o o o 10 17 o o o 11 16 o o o 13 19 o o o 14 15 o - o 