# generated using pymatgen
data_MnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46198735
_cell_length_b   2.98341879
_cell_length_c   4.12349687
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnB
_chemical_formula_sum   'Mn4 B4'
_cell_volume   67.19401313
_cell_formula_units_Z   4
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  0.25000000  0.37700100  0.67474900  1
  Mn  Mn1  1  0.75000000  0.62299900  0.32525100  1
  Mn  Mn2  1  0.75000000  0.87700100  0.82525100  1
  Mn  Mn3  1  0.25000000  0.12299900  0.17474900  1
  B  B4  1  0.25000000  0.88514700  0.53329700  1
  B  B5  1  0.75000000  0.11485300  0.46670300  1
  B  B6  1  0.75000000  0.38514700  0.96670300  1
  B  B7  1  0.25000000  0.61485300  0.03329700  1
