# generated using pymatgen
data_MnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95824266
_cell_length_b   4.10795503
_cell_length_c   5.48049688
_cell_angle_alpha   89.99989065
_cell_angle_beta   90.00000127
_cell_angle_gamma   90.00000022
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnB
_chemical_formula_sum   'Mn4 B4'
_cell_volume   66.60079468
_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  0.25000001  0.37723076  0.67490224  1.0
  Mn  Mn1  1  0.74999999  0.62276924  0.32509776  1.0
  Mn  Mn2  1  0.75000001  0.87725178  0.82508801  1.0
  Mn  Mn3  1  0.24999999  0.12274822  0.17491199  1.0
  B  B4  1  0.25000000  0.88377214  0.53383945  1.0
  B  B5  1  0.75000000  0.11622786  0.46616055  1.0
  B  B6  1  0.75000000  0.38376014  0.96616484  1.0
  B  B7  1  0.25000000  0.61623986  0.03383516  1.0