# generated using pymatgen
data_Mn5SiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.99737410
_cell_length_b   7.82172656
_cell_length_c   7.49071894
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn5SiC
_chemical_formula_sum   'Mn40 Si8 C8'
_cell_volume   585.74970045
_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  0.50000000  0.62626600  0.50000000  1
  Mn  Mn1  1  0.50000000  0.37373400  0.00000000  1
  Mn  Mn2  1  0.50000000  0.62626600  0.00000000  1
  Mn  Mn3  1  0.50000000  0.37373400  0.50000000  1
  Mn  Mn4  1  0.18152700  0.11807900  0.75000000  1
  Mn  Mn5  1  0.81847300  0.88192100  0.25000000  1
  Mn  Mn6  1  0.81847300  0.11807900  0.25000000  1
  Mn  Mn7  1  0.18152700  0.88192100  0.75000000  1
  Mn  Mn8  1  0.33806500  0.14616200  0.06415200  1
  Mn  Mn9  1  0.66193500  0.85383800  0.56415200  1
  Mn  Mn10  1  0.66193500  0.14616200  0.56415200  1
  Mn  Mn11  1  0.33806500  0.85383800  0.06415200  1
  Mn  Mn12  1  0.86719400  0.00000000  0.75000000  1
  Mn  Mn13  1  0.13280600  0.00000000  0.25000000  1
  Mn  Mn14  1  0.53213900  0.00000000  0.25000000  1
  Mn  Mn15  1  0.46786100  0.00000000  0.75000000  1
  Mn  Mn16  1  0.33806500  0.85383800  0.43584800  1
  Mn  Mn17  1  0.66193500  0.14616200  0.93584800  1
  Mn  Mn18  1  0.66193500  0.85383800  0.93584800  1
  Mn  Mn19  1  0.33806500  0.14616200  0.43584800  1
  Mn  Mn20  1  0.00000000  0.12626600  0.50000000  1
  Mn  Mn21  1  0.00000000  0.87373400  0.00000000  1
  Mn  Mn22  1  0.00000000  0.12626600  0.00000000  1
  Mn  Mn23  1  0.00000000  0.87373400  0.50000000  1
  Mn  Mn24  1  0.68152700  0.61807900  0.75000000  1
  Mn  Mn25  1  0.31847300  0.38192100  0.25000000  1
  Mn  Mn26  1  0.31847300  0.61807900  0.25000000  1
  Mn  Mn27  1  0.68152700  0.38192100  0.75000000  1
  Mn  Mn28  1  0.83806500  0.64616200  0.06415200  1
  Mn  Mn29  1  0.16193500  0.35383800  0.56415200  1
  Mn  Mn30  1  0.16193500  0.64616200  0.56415200  1
  Mn  Mn31  1  0.83806500  0.35383800  0.06415200  1
  Mn  Mn32  1  0.36719400  0.50000000  0.75000000  1
  Mn  Mn33  1  0.63280600  0.50000000  0.25000000  1
  Mn  Mn34  1  0.03213900  0.50000000  0.25000000  1
  Mn  Mn35  1  0.96786100  0.50000000  0.75000000  1
  Mn  Mn36  1  0.83806500  0.35383800  0.43584800  1
  Mn  Mn37  1  0.16193500  0.64616200  0.93584800  1
  Mn  Mn38  1  0.16193500  0.35383800  0.93584800  1
  Mn  Mn39  1  0.83806500  0.64616200  0.43584800  1
  Si  Si40  1  0.57890700  0.24505200  0.25000000  1
  Si  Si41  1  0.42109300  0.75494800  0.75000000  1
  Si  Si42  1  0.42109300  0.24505200  0.75000000  1
  Si  Si43  1  0.57890700  0.75494800  0.25000000  1
  Si  Si44  1  0.07890700  0.74505200  0.25000000  1
  Si  Si45  1  0.92109300  0.25494800  0.75000000  1
  Si  Si46  1  0.92109300  0.74505200  0.75000000  1
  Si  Si47  1  0.07890700  0.25494800  0.25000000  1
  C  C48  1  0.80677300  0.00000000  0.46447800  1
  C  C49  1  0.19322700  0.00000000  0.96447800  1
  C  C50  1  0.80677300  0.00000000  0.03552200  1
  C  C51  1  0.19322700  0.00000000  0.53552200  1
  C  C52  1  0.30677300  0.50000000  0.46447800  1
  C  C53  1  0.69322700  0.50000000  0.96447800  1
  C  C54  1  0.30677300  0.50000000  0.03552200  1
  C  C55  1  0.69322700  0.50000000  0.53552200  1
