# generated using pymatgen
data_MnB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61108123
_cell_length_b   5.36626721
_cell_length_c   2.94115557
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnB4
_chemical_formula_sum   'Mn2 B8'
_cell_volume   72.77681814
_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  0.50000000  0.50000000  0.50000000  1
  Mn  Mn1  1  0.00000000  0.00000000  0.00000000  1
  B  B2  1  0.50000000  0.66789600  0.86673200  1
  B  B3  1  0.50000000  0.33210400  0.13326800  1
  B  B4  1  0.00000000  0.16789600  0.63326800  1
  B  B5  1  0.00000000  0.83210400  0.36673200  1
  B  B6  1  0.50000000  0.73292900  0.18212900  1
  B  B7  1  0.50000000  0.26707100  0.81787100  1
  B  B8  1  0.00000000  0.23292900  0.31787100  1
  B  B9  1  0.00000000  0.76707100  0.68212900  1
