# generated using pymatgen
data_Mn4B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04489020
_cell_length_b   7.06085636
_cell_length_c   13.92569021
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn4B
_chemical_formula_sum   'Mn32 B8'
_cell_volume   397.72312523
_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  0.75000000  0.25000000  0.33229500  1
  Mn  Mn1  1  0.75000000  0.25000000  0.16770500  1
  Mn  Mn2  1  0.50000000  0.00000000  0.41882200  1
  Mn  Mn3  1  0.00000000  0.00000000  0.08117800  1
  Mn  Mn4  1  0.25000000  0.42172800  0.25000000  1
  Mn  Mn5  1  0.00000000  0.34352800  0.00000000  1
  Mn  Mn6  1  0.25000000  0.07827200  0.25000000  1
  Mn  Mn7  1  0.50000000  0.15647200  0.00000000  1
  Mn  Mn8  1  0.75000000  0.75000000  0.83229500  1
  Mn  Mn9  1  0.75000000  0.75000000  0.66770500  1
  Mn  Mn10  1  0.50000000  0.50000000  0.91882200  1
  Mn  Mn11  1  0.00000000  0.50000000  0.58117800  1
  Mn  Mn12  1  0.25000000  0.92172800  0.75000000  1
  Mn  Mn13  1  0.00000000  0.84352800  0.50000000  1
  Mn  Mn14  1  0.25000000  0.57827200  0.75000000  1
  Mn  Mn15  1  0.50000000  0.65647200  0.50000000  1
  Mn  Mn16  1  0.25000000  0.25000000  0.83229500  1
  Mn  Mn17  1  0.25000000  0.25000000  0.66770500  1
  Mn  Mn18  1  0.00000000  0.00000000  0.91882200  1
  Mn  Mn19  1  0.50000000  0.00000000  0.58117800  1
  Mn  Mn20  1  0.75000000  0.42172800  0.75000000  1
  Mn  Mn21  1  0.50000000  0.34352800  0.50000000  1
  Mn  Mn22  1  0.75000000  0.07827200  0.75000000  1
  Mn  Mn23  1  0.00000000  0.15647200  0.50000000  1
  Mn  Mn24  1  0.25000000  0.75000000  0.33229500  1
  Mn  Mn25  1  0.25000000  0.75000000  0.16770500  1
  Mn  Mn26  1  0.00000000  0.50000000  0.41882200  1
  Mn  Mn27  1  0.50000000  0.50000000  0.08117800  1
  Mn  Mn28  1  0.75000000  0.92172800  0.25000000  1
  Mn  Mn29  1  0.50000000  0.84352800  0.00000000  1
  Mn  Mn30  1  0.75000000  0.57827200  0.25000000  1
  Mn  Mn31  1  0.00000000  0.65647200  0.00000000  1
  B  B32  1  0.25000000  0.25000000  0.12516300  1
  B  B33  1  0.25000000  0.25000000  0.37483700  1
  B  B34  1  0.25000000  0.75000000  0.62516300  1
  B  B35  1  0.25000000  0.75000000  0.87483700  1
  B  B36  1  0.75000000  0.25000000  0.62516300  1
  B  B37  1  0.75000000  0.25000000  0.87483700  1
  B  B38  1  0.75000000  0.75000000  0.12516300  1
  B  B39  1  0.75000000  0.75000000  0.37483700  1
