data_Mn2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   5.29
_cell_angle_alpha   98.95
_cell_angle_beta   98.95
_cell_angle_gamma   37.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2B
_chemical_formula_sum   'Mn4 B2'
_cell_volume   55.13
_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  0.01  0.0  0.66  1.0
  Mn  Mn3  1  0.05  0.0  0.19  1.0
  Mn  Mn4  1  0.91  0.0  1.0  1.0
  Mn  Mn5  1  0.43  0.0  0.13  1.0
  B  B0  1  0.78  0.0  0.98  1.0
  B  B1  1  0.42  0.0  0.02  1.0

data_Mn2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.16
_cell_length_c   5.29
_cell_angle_alpha   98.95
_cell_angle_beta   90.0
_cell_angle_gamma   108.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2B
_chemical_formula_sum   'Mn4 B2'
_cell_volume   55.13
_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  Mn0  1  0.0  0.09  0.0  1.0
  Mn  Mn1  1  0.0  0.57  0.87  1.0
  Mn  Mn2  1  0.0  0.95  0.81  1.0
  Mn  Mn3  1  0.0  0.99  0.34  1.0
  B  B4  1  0.0  0.22  0.02  1.0
  B  B5  1  0.0  0.58  0.98  1.0

Mn Mn Mn Mn B B