# generated using pymatgen
data_Th2Mn13(Si2C)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69569944
_cell_length_b   6.71448182
_cell_length_c   6.69570053
_cell_angle_alpha   83.65420209
_cell_angle_beta   83.80010661
_cell_angle_gamma   83.65419982
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Mn13(Si2C)2
_chemical_formula_sum   'Th2 Mn13 Si4 C2'
_cell_volume   295.94761735
_cell_formula_units_Z   1
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
  Th  Th0  1  0.65797678  0.66863083  0.65224293  1.0
  Th  Th1  1  0.34775707  0.33136917  0.34202322  1.0
  Mn  Mn2  1  0.84238680  0.34120776  0.34552552  1.0
  Mn  Mn3  1  0.34173605  0.33906208  0.84874840  1.0
  Mn  Mn4  1  0.15125160  0.66093792  0.65826395  1.0
  Mn  Mn5  1  0.65447448  0.65879224  0.15761320  1.0
  Mn  Mn6  1  0.49341062  0.99806126  0.01184442  1.0
  Mn  Mn7  1  0.98815558  0.00193874  0.50658938  1.0
  Mn  Mn8  1  0.99432127  0.29395840  0.71520507  1.0
  Mn  Mn9  1  0.28479493  0.70604160  0.00567873  1.0
  Mn  Mn10  1  0.00032696  0.70949693  0.28046436  1.0
  Mn  Mn11  1  0.71953564  0.29050307  0.99967304  1.0
  Mn  Mn12  1  0.28684543  1.00000000  0.71315457  1.0
  Mn  Mn13  1  0.90176716  0.89793967  0.90009628  1.0
  Mn  Mn14  1  0.09990372  0.10206033  0.09823284  1.0
  Si  Si15  1  0.31556336  0.85089090  0.34155406  1.0
  Si  Si16  1  0.65844594  0.14910910  0.68443664  1.0
  Si  Si17  1  0.99164701  0.50000000  0.00835299  1.0
  Si  Si18  1  0.76050331  1.00000000  0.23949669  1.0
  C  C19  1  0.00287659  0.50123635  0.49367932  1.0
  C  C20  1  0.50632068  0.49876365  0.99712341  1.0