# generated using pymatgen
data_MnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77008467
_cell_length_b   6.77008467
_cell_length_c   3.96080911
_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   'Mn8 B8'
_cell_volume   181.53990868
_cell_formula_units_Z   8
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  0.62628100  0.87371900  0.12125500  1
  Mn  Mn1  1  0.87371900  0.62628100  0.37874500  1
  Mn  Mn2  1  0.62628100  0.12628100  0.62125500  1
  Mn  Mn3  1  0.12628100  0.62628100  0.87874500  1
  Mn  Mn4  1  0.37371900  0.12628100  0.12125500  1
  Mn  Mn5  1  0.87371900  0.37371900  0.87874500  1
  Mn  Mn6  1  0.37371900  0.87371900  0.62125500  1
  Mn  Mn7  1  0.12628100  0.37371900  0.37874500  1
  B  B8  1  0.81949200  0.31949200  0.38269700  1
  B  B9  1  0.31949200  0.81949200  0.11730300  1
  B  B10  1  0.68050800  0.18050800  0.11730300  1
  B  B11  1  0.31949200  0.18050800  0.61730300  1
  B  B12  1  0.18050800  0.31949200  0.88269700  1
  B  B13  1  0.81949200  0.68050800  0.88269700  1
  B  B14  1  0.68050800  0.81949200  0.61730300  1
  B  B15  1  0.18050800  0.68050800  0.38269700  1
