data_Mn3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57
_cell_length_b   7.57
_cell_length_c   7.57
_cell_angle_alpha   154.91
_cell_angle_beta   154.91
_cell_angle_gamma   35.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3B
_chemical_formula_sum   'Mn6 B2'
_cell_volume   77.92
_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
  Mn  Mn2  1  0.0  0.64  0.0  1.0
  Mn  Mn3  1  0.64  0.0  0.0  1.0
  Mn  Mn4  1  0.64  0.0  0.6  1.0
  Mn  Mn5  1  0.0  0.64  0.6  1.0
  Mn  Mn6  1  0.0  0.0  0.59  1.0
  Mn  Mn7  1  0.0  0.0  0.82  1.0
  B  B0  1  0.0  0.0  0.93  1.0
  B  B1  1  0.0  0.0  0.48  1.0

data_Mn3B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   7.57
_cell_angle_alpha   90.0
_cell_angle_beta   107.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn3B
_chemical_formula_sum   'Mn12 B4'
_cell_volume   155.85
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.32  0.32  0.64  1.0
  Mn  Mn1  4  0.32  0.32  0.04  1.0
  Mn  Mn2  2  0.0  0.0  0.18  1.0
  Mn  Mn3  2  0.0  0.0  0.41  1.0
  B  B4  2  0.0  0.0  0.07  1.0
  B  B5  2  0.0  0.0  0.52  1.0

Mn Mn Mn Mn Mn Mn B B