data_MnB3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   10.96
_cell_length_c   3.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnB3
_chemical_formula_sum   'Mn6 B18'
_cell_volume   170.71
_cell_formula_units_Z   6
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  Mn18  1  0.0  0.48  0.26  1.0
  Mn  Mn19  1  0.0  0.98  0.44  1.0
  Mn  Mn20  1  0.0  0.97  0.44  1.0
  Mn  Mn21  1  0.01  0.0  0.62  1.0
  Mn  Mn22  1  0.01  0.46  0.44  1.0
  Mn  Mn23  1  0.01  0.49  0.44  1.0
  B  B0  1  0.06  0.91  0.44  1.0
  B  B1  1  0.06  0.05  0.44  1.0
  B  B2  1  0.85  0.48  0.18  1.0
  B  B3  1  0.17  0.0  0.7  1.0
  B  B4  1  0.96  0.38  0.44  1.0
  B  B5  1  0.96  0.57  0.44  1.0
  B  B6  1  0.0  0.0  0.11  1.0
  B  B7  1  0.0  0.86  0.04  1.0
  B  B8  1  0.0  0.09  0.04  1.0
  B  B9  1  0.95  0.91  0.44  1.0
  B  B10  1  0.95  0.05  0.44  1.0
  B  B11  1  0.16  0.48  0.18  1.0
  B  B12  1  0.84  0.0  0.7  1.0
  B  B13  1  0.05  0.38  0.44  1.0
  B  B14  1  0.05  0.57  0.44  1.0
  B  B15  1  0.01  0.48  0.77  1.0
  B  B16  1  0.01  0.39  0.84  1.0
  B  B17  1  0.01  0.57  0.84  1.0

data_MnB3
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.88
_cell_length_b   4.01
_cell_length_c   10.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MnB3
_chemical_formula_sum   'Mn6 B18'
_cell_volume   170.71
_cell_formula_units_Z   6
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
  Mn  Mn0  1  0.26  0.0  0.48  1.0
  Mn  Mn1  1  0.44  0.0  0.97  1.0
  Mn  Mn2  1  0.44  0.0  0.98  1.0
  Mn  Mn3  1  0.44  0.0  0.46  1.0
  Mn  Mn4  1  0.44  0.0  0.49  1.0
  Mn  Mn5  1  0.62  0.0  0.0  1.0
  B  B6  2  0.18  0.15  0.48  1.0
  B  B7  2  0.44  0.06  0.05  1.0
  B  B8  2  0.44  0.06  0.91  1.0
  B  B9  2  0.44  0.04  0.38  1.0
  B  B10  2  0.44  0.04  0.57  1.0
  B  B11  2  0.7  0.17  0.0  1.0
  B  B12  1  0.04  0.0  0.09  1.0
  B  B13  1  0.04  0.0  0.86  1.0
  B  B14  1  0.11  0.0  0.0  1.0
  B  B15  1  0.77  0.0  0.48  1.0
  B  B16  1  0.84  0.0  0.39  1.0
  B  B17  1  0.84  0.0  0.57  1.0

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