# generated using pymatgen
data_MnB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44368079
_cell_length_b   5.36387994
_cell_length_c   5.47592331
_cell_angle_alpha   90.00000000
_cell_angle_beta   114.81369411
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnB4
_chemical_formula_sum   'Mn4 B16'
_cell_volume   145.13109877
_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  0.72947800  0.99945200  0.72366500  1
  Mn  Mn1  1  0.27052200  0.49945200  0.77633500  1
  Mn  Mn2  1  0.27052200  0.00054800  0.27633500  1
  Mn  Mn3  1  0.72947800  0.50054800  0.22366500  1
  B  B4  1  0.12983800  0.17968900  0.87336900  1
  B  B5  1  0.87016200  0.67968900  0.62663100  1
  B  B6  1  0.87016200  0.82031100  0.12663100  1
  B  B7  1  0.12983800  0.32031100  0.37336900  1
  B  B8  1  0.63585000  0.18588000  0.36245100  1
  B  B9  1  0.36415000  0.68588000  0.13754900  1
  B  B10  1  0.36415000  0.81412000  0.63754900  1
  B  B11  1  0.63585000  0.31412000  0.86245100  1
  B  B12  1  0.32941800  0.13076400  0.67437500  1
  B  B13  1  0.67058200  0.63076400  0.82562500  1
  B  B14  1  0.67058200  0.86923600  0.32562500  1
  B  B15  1  0.32941800  0.36923600  0.17437500  1
  B  B16  1  0.83733500  0.13056000  0.15877800  1
  B  B17  1  0.16266500  0.63056000  0.34122200  1
  B  B18  1  0.16266500  0.86944000  0.84122200  1
  B  B19  1  0.83733500  0.36944000  0.65877800  1
