# generated using pymatgen
data_ThRe2SiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87463336
_cell_length_b   5.87463320
_cell_length_c   7.28039398
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   139.68009957
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThRe2SiC
_chemical_formula_sum   'Th2 Re4 Si2 C2'
_cell_volume   162.57634558
_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  0.54670697  0.45329303  0.25000000  1.0
  Th  Th1  1  0.45329303  0.54670697  0.75000000  1.0
  Re  Re2  1  0.82672121  0.17327879  0.06260423  1.0
  Re  Re3  1  0.17327879  0.82672121  0.93739577  1.0
  Re  Re4  1  0.17327879  0.82672121  0.56260423  1.0
  Re  Re5  1  0.82672121  0.17327879  0.43739577  1.0
  Si  Si6  1  0.26672508  0.73327492  0.25000000  1.0
  Si  Si7  1  0.73327492  0.26672508  0.75000000  1.0
  C  C8  1  0.00000000  0.00000000  0.00000000  1.0
  C  C9  1  0.00000000  0.00000000  0.50000000  1.0