data_MnB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   149.24
_cell_angle_beta   149.24
_cell_angle_gamma   44.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnB2
_chemical_formula_sum   'Mn2 B4'
_cell_volume   45.45
_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  Mn4  1  0.0  0.48  0.59  1.0
  Mn  Mn5  1  0.0  0.0  0.0  1.0
  B  B0  1  0.48  0.0  0.45  1.0
  B  B1  1  0.0  0.0  0.32  1.0
  B  B2  1  0.48  0.0  0.73  1.0
  B  B3  1  0.0  0.0  0.04  1.0

data_MnB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   5.59
_cell_angle_alpha   105.38
_cell_angle_beta   105.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnB2
_chemical_formula_sum   'Mn2 B4'
_cell_volume   45.45
_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  0.0  0.0  1.0
  Mn  Mn1  1  0.11  0.59  0.11  1.0
  B  B2  1  0.04  0.04  0.04  1.0
  B  B3  1  0.32  0.32  0.32  1.0
  B  B4  1  0.45  0.96  0.96  1.0
  B  B5  1  0.73  0.25  0.25  1.0

Mn Mn B B B B