# generated using pymatgen
data_ThSiMo2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03185730
_cell_length_b   6.03185786
_cell_length_c   7.82260079
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   143.69439236
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThSiMo2C
_chemical_formula_sum   'Th2 Si2 Mo4 C2'
_cell_volume   168.51654937
_cell_formula_units_Z   2
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  0.53640309  0.46359691  0.25000000  1.0
  Th  Th1  1  0.46359691  0.53640309  0.75000000  1.0
  Si  Si2  1  0.25677989  0.74322011  0.25000000  1.0
  Si  Si3  1  0.74322011  0.25677989  0.75000000  1.0
  Mo  Mo4  1  0.82823269  0.17176731  0.05754625  1.0
  Mo  Mo5  1  0.17176731  0.82823269  0.94245375  1.0
  Mo  Mo6  1  0.17176731  0.82823269  0.55754625  1.0
  Mo  Mo7  1  0.82823269  0.17176731  0.44245375  1.0
  C  C8  1  0.00000000  0.00000000  0.00000000  1.0
  C  C9  1  0.00000000  0.00000000  0.50000000  1.0