data_Mn2B3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   32.96
_cell_angle_beta   32.96
_cell_angle_gamma   32.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2B3
_chemical_formula_sum   'Mn2 B3'
_cell_volume   39.02
_cell_formula_units_Z   1
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  Mn3  1  0.0  0.0  0.18  1.0
  Mn  Mn4  1  0.0  0.0  0.82  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.0  0.0  0.59  1.0
  B  B2  1  0.0  0.0  0.41  1.0

data_Mn2B3
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   5.2
_cell_length_b   3.0
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   109.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   Mn2B3
_chemical_formula_sum   'Mn4 B6'
_cell_volume   78.04
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  -0.0  0.0  0.18  1.0
  B  B1  4  0.0  0.0  0.41  1.0
  B  B2  2  0.0  0.0  0.0  1.0

Mn Mn B B B