# generated using pymatgen
data_MnFeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.20643366
_cell_length_b   7.15410868
_cell_length_c   7.19771372
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeB
_chemical_formula_sum   'Mn8 Fe8 B8'
_cell_volume   216.60283995
_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  0.00000000  0.33712200  0.50000000  1
  Mn  Mn1  1  0.50000000  0.16287800  0.50000000  1
  Mn  Mn2  1  0.00000000  0.83712200  0.00000000  1
  Mn  Mn3  1  0.50000000  0.66287800  0.00000000  1
  Mn  Mn4  1  0.50000000  0.33712200  0.00000000  1
  Mn  Mn5  1  0.00000000  0.16287800  0.00000000  1
  Mn  Mn6  1  0.50000000  0.83712200  0.50000000  1
  Mn  Mn7  1  0.00000000  0.66287800  0.50000000  1
  Fe  Fe8  1  0.00000000  0.00000000  0.66666700  1
  Fe  Fe9  1  0.50000000  0.50000000  0.33328100  1
  Fe  Fe10  1  0.00000000  0.50000000  0.16671900  1
  Fe  Fe11  1  0.50000000  0.00000000  0.83328100  1
  Fe  Fe12  1  0.50000000  0.00000000  0.16671900  1
  Fe  Fe13  1  0.00000000  0.50000000  0.83328100  1
  Fe  Fe14  1  0.50000000  0.50000000  0.66666700  1
  Fe  Fe15  1  0.00000000  0.00000000  0.33328100  1
  B  B16  1  0.25000000  0.25000000  0.25000000  1
  B  B17  1  0.75000000  0.25000000  0.25000000  1
  B  B18  1  0.25000000  0.75000000  0.75000000  1
  B  B19  1  0.75000000  0.75000000  0.75000000  1
  B  B20  1  0.75000000  0.25000000  0.75000000  1
  B  B21  1  0.25000000  0.25000000  0.75000000  1
  B  B22  1  0.75000000  0.75000000  0.25000000  1
  B  B23  1  0.25000000  0.75000000  0.25000000  1
