data_Mn2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   15.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2B
_chemical_formula_sum   'Mn16 B8'
_cell_volume   256.04
_cell_formula_units_Z   8
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
  Mn  Mn8  1  0.0  0.5  0.98  1.0
  Mn  Mn9  1  0.17  0.25  0.74  1.0
  Mn  Mn10  1  0.17  0.25  0.12  1.0
  Mn  Mn11  1  0.0  0.5  0.6  1.0
  Mn  Mn12  1  0.08  0.88  0.86  1.0
  Mn  Mn13  1  0.17  0.0  0.86  1.0
  Mn  Mn14  1  0.92  0.88  0.86  1.0
  Mn  Mn15  1  0.08  0.88  0.0  1.0
  Mn  Mn16  1  0.17  0.0  0.0  1.0
  Mn  Mn17  1  0.92  0.88  0.0  1.0
  Mn  Mn18  1  0.83  0.18  0.79  1.0
  Mn  Mn19  1  0.0  0.15  0.79  1.0
  Mn  Mn20  1  0.17  0.18  0.79  1.0
  Mn  Mn21  1  0.34  0.57  0.93  1.0
  Mn  Mn22  1  0.17  0.61  0.93  1.0
  Mn  Mn23  1  0.99  0.57  0.93  1.0
  B  B0  1  0.0  0.0  0.75  1.0
  B  B1  1  0.0  0.0  0.96  1.0
  B  B2  1  0.0  0.0  0.9  1.0
  B  B3  1  0.0  0.0  0.82  1.0
  B  B4  1  0.0  0.5  0.87  1.0
  B  B5  1  0.17  0.25  0.84  1.0
  B  B6  1  0.17  0.25  0.73  1.0
  B  B7  1  0.0  0.5  0.99  1.0

data_Mn2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   15.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2B
_chemical_formula_sum   'Mn16 B8'
_cell_volume   256.04
_cell_formula_units_Z   8
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
  Mn  Mn0  1  -0.0  0.15  0.79  1.0
  Mn  Mn1  1  -0.0  0.5  0.6  1.0
  Mn  Mn2  1  -0.0  0.5  0.98  1.0
  Mn  Mn3  1  0.08  0.88  0.0  1.0
  Mn  Mn4  1  0.08  0.88  0.86  1.0
  Mn  Mn5  1  0.17  0.25  0.12  1.0
  Mn  Mn6  1  0.17  0.25  0.74  1.0
  Mn  Mn7  1  0.17  0.0  0.0  1.0
  Mn  Mn8  1  0.17  0.0  0.86  1.0
  Mn  Mn9  1  0.17  0.61  0.93  1.0
  Mn  Mn10  1  0.17  0.18  0.79  1.0
  Mn  Mn11  1  0.34  0.57  0.93  1.0
  Mn  Mn12  1  0.83  0.18  0.79  1.0
  Mn  Mn13  1  0.92  0.88  0.0  1.0
  Mn  Mn14  1  0.92  0.88  0.86  1.0
  Mn  Mn15  1  0.99  0.57  0.93  1.0
  B  B16  1  -0.0  0.5  0.87  1.0
  B  B17  1  -0.0  0.5  0.99  1.0
  B  B18  1  0.0  0.0  0.75  1.0
  B  B19  1  0.0  0.0  0.82  1.0
  B  B20  1  0.0  0.0  0.9  1.0
  B  B21  1  0.0  0.0  0.96  1.0
  B  B22  1  0.17  0.25  0.73  1.0
  B  B23  1  0.17  0.25  0.84  1.0

Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn B B B B B B B B