# generated using pymatgen
data_Mn4B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.80673634
_cell_length_b   7.25062027
_cell_length_c   4.06868598
_cell_angle_alpha   82.03018673
_cell_angle_beta   66.89596846
_cell_angle_gamma   31.07384481
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn4B
_chemical_formula_sum   'Mn8 B2'
_cell_volume   99.43076982
_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  0.83229500  0.83229500  0.66770500  1.0
  Mn  Mn1  1  0.66770500  0.66770500  0.83229500  1.0
  Mn  Mn2  1  0.91882200  0.91882200  0.08117800  1.0
  Mn  Mn3  1  0.08117800  0.08117800  0.91882200  1.0
  Mn  Mn4  1  0.42172800  0.07827200  0.42172800  1.0
  Mn  Mn5  1  0.34352800  0.65647200  0.34352800  1.0
  Mn  Mn6  1  0.07827200  0.42172800  0.07827200  1.0
  Mn  Mn7  1  0.65647200  0.34352800  0.65647200  1.0
  B  B8  1  0.12516300  0.12516300  0.37483700  1.0
  B  B9  1  0.37483700  0.37483700  0.12516300  1.0