# generated using pymatgen
data_Th2AlC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94581361
_cell_length_b   6.94581313
_cell_length_c   6.94581391
_cell_angle_alpha   148.09345904
_cell_angle_beta   148.09344960
_cell_angle_gamma   45.74742514
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2AlC2
_chemical_formula_sum   'Th2 Al1 C2'
_cell_volume   93.29588198
_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  0.35055596  0.35055596  0.00000000  1.0
  Th  Th1  1  0.64944404  0.64944404  0.00000000  1.0
  Al  Al2  1  0.00000000  0.00000000  0.00000000  1.0
  C  C3  1  0.16015374  0.16015374  0.00000000  1.0
  C  C4  1  0.83984626  0.83984626  0.00000000  1.0