# generated using pymatgen
data_Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61849754
_cell_length_b   8.61849754
_cell_length_c   8.61849754
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn
_chemical_formula_sum   Mn58
_cell_volume   640.16906821
_cell_formula_units_Z   58
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  0.00000000  0.00000000  1
  Mn  Mn1  1  0.81878700  0.81878700  0.81878700  1
  Mn  Mn2  1  0.18121300  0.18121300  0.81878700  1
  Mn  Mn3  1  0.31878700  0.68121300  0.68121300  1
  Mn  Mn4  1  0.18121300  0.81878700  0.18121300  1
  Mn  Mn5  1  0.85620400  0.53546800  0.85620400  1
  Mn  Mn6  1  0.14379600  0.46453200  0.85620400  1
  Mn  Mn7  1  0.35620400  0.96453200  0.64379600  1
  Mn  Mn8  1  0.14379600  0.85620400  0.46453200  1
  Mn  Mn9  1  0.14379600  0.14379600  0.53546800  1
  Mn  Mn10  1  0.03546800  0.64379600  0.64379600  1
  Mn  Mn11  1  0.46453200  0.85620400  0.14379600  1
  Mn  Mn12  1  0.46453200  0.14379600  0.85620400  1
  Mn  Mn13  1  0.35620400  0.64379600  0.96453200  1
  Mn  Mn14  1  0.85620400  0.85620400  0.53546800  1
  Mn  Mn15  1  0.53546800  0.85620400  0.85620400  1
  Mn  Mn16  1  0.14379600  0.53546800  0.14379600  1
  Mn  Mn17  1  0.08905900  0.28254400  0.08905900  1
  Mn  Mn18  1  0.41094100  0.21745600  0.58905900  1
  Mn  Mn19  1  0.08905900  0.71745600  0.91094100  1
  Mn  Mn20  1  0.41094100  0.58905900  0.21745600  1
  Mn  Mn21  1  0.91094100  0.91094100  0.28254400  1
  Mn  Mn22  1  0.28254400  0.91094100  0.91094100  1
  Mn  Mn23  1  0.71745600  0.08905900  0.91094100  1
  Mn  Mn24  1  0.71745600  0.91094100  0.08905900  1
  Mn  Mn25  1  0.08905900  0.91094100  0.71745600  1
  Mn  Mn26  1  0.08905900  0.08905900  0.28254400  1
  Mn  Mn27  1  0.78254400  0.58905900  0.58905900  1
  Mn  Mn28  1  0.91094100  0.28254400  0.91094100  1
  Mn  Mn29  1  0.50000000  0.50000000  0.50000000  1
  Mn  Mn30  1  0.31878700  0.31878700  0.31878700  1
  Mn  Mn31  1  0.68121300  0.68121300  0.31878700  1
  Mn  Mn32  1  0.81878700  0.18121300  0.18121300  1
  Mn  Mn33  1  0.68121300  0.31878700  0.68121300  1
  Mn  Mn34  1  0.35620400  0.03546800  0.35620400  1
  Mn  Mn35  1  0.64379600  0.96453200  0.35620400  1
  Mn  Mn36  1  0.85620400  0.46453200  0.14379600  1
  Mn  Mn37  1  0.64379600  0.35620400  0.96453200  1
  Mn  Mn38  1  0.64379600  0.64379600  0.03546800  1
  Mn  Mn39  1  0.53546800  0.14379600  0.14379600  1
  Mn  Mn40  1  0.96453200  0.35620400  0.64379600  1
  Mn  Mn41  1  0.96453200  0.64379600  0.35620400  1
  Mn  Mn42  1  0.85620400  0.14379600  0.46453200  1
  Mn  Mn43  1  0.35620400  0.35620400  0.03546800  1
  Mn  Mn44  1  0.03546800  0.35620400  0.35620400  1
  Mn  Mn45  1  0.64379600  0.03546800  0.64379600  1
  Mn  Mn46  1  0.58905900  0.78254400  0.58905900  1
  Mn  Mn47  1  0.91094100  0.71745600  0.08905900  1
  Mn  Mn48  1  0.58905900  0.21745600  0.41094100  1
  Mn  Mn49  1  0.91094100  0.08905900  0.71745600  1
  Mn  Mn50  1  0.41094100  0.41094100  0.78254400  1
  Mn  Mn51  1  0.78254400  0.41094100  0.41094100  1
  Mn  Mn52  1  0.21745600  0.58905900  0.41094100  1
  Mn  Mn53  1  0.21745600  0.41094100  0.58905900  1
  Mn  Mn54  1  0.58905900  0.41094100  0.21745600  1
  Mn  Mn55  1  0.58905900  0.58905900  0.78254400  1
  Mn  Mn56  1  0.28254400  0.08905900  0.08905900  1
  Mn  Mn57  1  0.41094100  0.78254400  0.41094100  1
