# generated using pymatgen
data_Mn6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.49179556
_cell_length_b   10.49179556
_cell_length_c   10.49179556
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn6C
_chemical_formula_sum   'Mn96 C16'
_cell_volume   1154.91350127
_cell_formula_units_Z   16
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  0.37500000  0.87500000  0.12500000  1
  Mn  Mn1  1  0.37500000  0.12500000  0.87500000  1
  Mn  Mn2  1  0.12500000  0.87500000  0.37500000  1
  Mn  Mn3  1  0.12500000  0.12500000  0.62500000  1
  Mn  Mn4  1  0.08606000  0.08606000  0.41394000  1
  Mn  Mn5  1  0.08606000  0.91394000  0.58606000  1
  Mn  Mn6  1  0.41394000  0.08606000  0.08606000  1
  Mn  Mn7  1  0.41394000  0.91394000  0.91394000  1
  Mn  Mn8  1  0.16394000  0.16394000  0.83606000  1
  Mn  Mn9  1  0.16394000  0.33606000  0.66394000  1
  Mn  Mn10  1  0.33606000  0.16394000  0.66394000  1
  Mn  Mn11  1  0.33606000  0.33606000  0.83606000  1
  Mn  Mn12  1  0.25000000  0.75000000  0.55534500  1
  Mn  Mn13  1  0.25000000  0.94465500  0.75000000  1
  Mn  Mn14  1  0.44465500  0.75000000  0.75000000  1
  Mn  Mn15  1  0.25000000  0.75000000  0.94465500  1
  Mn  Mn16  1  0.25000000  0.55534500  0.75000000  1
  Mn  Mn17  1  0.05534500  0.75000000  0.75000000  1
  Mn  Mn18  1  0.00000000  0.00000000  0.19465500  1
  Mn  Mn19  1  0.00000000  0.30534500  0.50000000  1
  Mn  Mn20  1  0.30534500  0.00000000  0.50000000  1
  Mn  Mn21  1  0.00000000  0.00000000  0.80534500  1
  Mn  Mn22  1  0.00000000  0.69465500  0.50000000  1
  Mn  Mn23  1  0.19465500  0.00000000  0.00000000  1
  Mn  Mn24  1  0.37500000  0.37500000  0.62500000  1
  Mn  Mn25  1  0.37500000  0.62500000  0.37500000  1
  Mn  Mn26  1  0.12500000  0.37500000  0.87500000  1
  Mn  Mn27  1  0.12500000  0.62500000  0.12500000  1
  Mn  Mn28  1  0.08606000  0.58606000  0.91394000  1
  Mn  Mn29  1  0.08606000  0.41394000  0.08606000  1
  Mn  Mn30  1  0.41394000  0.58606000  0.58606000  1
  Mn  Mn31  1  0.41394000  0.41394000  0.41394000  1
  Mn  Mn32  1  0.16394000  0.66394000  0.33606000  1
  Mn  Mn33  1  0.16394000  0.83606000  0.16394000  1
  Mn  Mn34  1  0.33606000  0.66394000  0.16394000  1
  Mn  Mn35  1  0.33606000  0.83606000  0.33606000  1
  Mn  Mn36  1  0.25000000  0.25000000  0.05534500  1
  Mn  Mn37  1  0.25000000  0.44465500  0.25000000  1
  Mn  Mn38  1  0.44465500  0.25000000  0.25000000  1
  Mn  Mn39  1  0.25000000  0.25000000  0.44465500  1
  Mn  Mn40  1  0.25000000  0.05534500  0.25000000  1
  Mn  Mn41  1  0.05534500  0.25000000  0.25000000  1
  Mn  Mn42  1  0.00000000  0.50000000  0.69465500  1
  Mn  Mn43  1  0.00000000  0.80534500  0.00000000  1
  Mn  Mn44  1  0.30534500  0.50000000  0.00000000  1
  Mn  Mn45  1  0.00000000  0.50000000  0.30534500  1
  Mn  Mn46  1  0.00000000  0.19465500  0.00000000  1
  Mn  Mn47  1  0.19465500  0.50000000  0.50000000  1
  Mn  Mn48  1  0.87500000  0.87500000  0.62500000  1
  Mn  Mn49  1  0.87500000  0.12500000  0.37500000  1
  Mn  Mn50  1  0.62500000  0.87500000  0.87500000  1
  Mn  Mn51  1  0.62500000  0.12500000  0.12500000  1
  Mn  Mn52  1  0.58606000  0.08606000  0.91394000  1
  Mn  Mn53  1  0.58606000  0.91394000  0.08606000  1
  Mn  Mn54  1  0.91394000  0.08606000  0.58606000  1
  Mn  Mn55  1  0.91394000  0.91394000  0.41394000  1
  Mn  Mn56  1  0.66394000  0.16394000  0.33606000  1
  Mn  Mn57  1  0.66394000  0.33606000  0.16394000  1
  Mn  Mn58  1  0.83606000  0.16394000  0.16394000  1
  Mn  Mn59  1  0.83606000  0.33606000  0.33606000  1
  Mn  Mn60  1  0.75000000  0.75000000  0.05534500  1
  Mn  Mn61  1  0.75000000  0.94465500  0.25000000  1
  Mn  Mn62  1  0.94465500  0.75000000  0.25000000  1
  Mn  Mn63  1  0.75000000  0.75000000  0.44465500  1
  Mn  Mn64  1  0.75000000  0.55534500  0.25000000  1
  Mn  Mn65  1  0.55534500  0.75000000  0.25000000  1
  Mn  Mn66  1  0.50000000  0.00000000  0.69465500  1
  Mn  Mn67  1  0.50000000  0.30534500  0.00000000  1
  Mn  Mn68  1  0.80534500  0.00000000  0.00000000  1
  Mn  Mn69  1  0.50000000  0.00000000  0.30534500  1
  Mn  Mn70  1  0.50000000  0.69465500  0.00000000  1
  Mn  Mn71  1  0.69465500  0.00000000  0.50000000  1
  Mn  Mn72  1  0.87500000  0.37500000  0.12500000  1
  Mn  Mn73  1  0.87500000  0.62500000  0.87500000  1
  Mn  Mn74  1  0.62500000  0.37500000  0.37500000  1
  Mn  Mn75  1  0.62500000  0.62500000  0.62500000  1
  Mn  Mn76  1  0.58606000  0.58606000  0.41394000  1
  Mn  Mn77  1  0.58606000  0.41394000  0.58606000  1
  Mn  Mn78  1  0.91394000  0.58606000  0.08606000  1
  Mn  Mn79  1  0.91394000  0.41394000  0.91394000  1
  Mn  Mn80  1  0.66394000  0.66394000  0.83606000  1
  Mn  Mn81  1  0.66394000  0.83606000  0.66394000  1
  Mn  Mn82  1  0.83606000  0.66394000  0.66394000  1
  Mn  Mn83  1  0.83606000  0.83606000  0.83606000  1
  Mn  Mn84  1  0.75000000  0.25000000  0.55534500  1
  Mn  Mn85  1  0.75000000  0.44465500  0.75000000  1
  Mn  Mn86  1  0.94465500  0.25000000  0.75000000  1
  Mn  Mn87  1  0.75000000  0.25000000  0.94465500  1
  Mn  Mn88  1  0.75000000  0.05534500  0.75000000  1
  Mn  Mn89  1  0.55534500  0.25000000  0.75000000  1
  Mn  Mn90  1  0.50000000  0.50000000  0.19465500  1
  Mn  Mn91  1  0.50000000  0.80534500  0.50000000  1
  Mn  Mn92  1  0.80534500  0.50000000  0.50000000  1
  Mn  Mn93  1  0.50000000  0.50000000  0.80534500  1
  Mn  Mn94  1  0.50000000  0.19465500  0.50000000  1
  Mn  Mn95  1  0.69465500  0.50000000  0.00000000  1
  C  C96  1  0.37500000  0.87500000  0.62500000  1
  C  C97  1  0.37500000  0.62500000  0.87500000  1
  C  C98  1  0.12500000  0.87500000  0.87500000  1
  C  C99  1  0.12500000  0.62500000  0.62500000  1
  C  C100  1  0.37500000  0.37500000  0.12500000  1
  C  C101  1  0.37500000  0.12500000  0.37500000  1
  C  C102  1  0.12500000  0.37500000  0.37500000  1
  C  C103  1  0.12500000  0.12500000  0.12500000  1
  C  C104  1  0.87500000  0.87500000  0.12500000  1
  C  C105  1  0.87500000  0.62500000  0.37500000  1
  C  C106  1  0.62500000  0.87500000  0.37500000  1
  C  C107  1  0.62500000  0.62500000  0.12500000  1
  C  C108  1  0.87500000  0.37500000  0.62500000  1
  C  C109  1  0.87500000  0.12500000  0.87500000  1
  C  C110  1  0.62500000  0.37500000  0.87500000  1
  C  C111  1  0.62500000  0.12500000  0.62500000  1
