# generated using pymatgen
data_ThRe2NiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63386701
_cell_length_b   5.63386651
_cell_length_c   7.79617305
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   140.17187524
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThRe2NiC
_chemical_formula_sum   'Th2 Re4 Ni2 C2'
_cell_volume   158.49105773
_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  0.53060418  0.46939582  0.25000000  1.0
  Th  Th1  1  0.46939582  0.53060418  0.75000000  1.0
  Re  Re2  1  0.81972391  0.18027609  0.06080272  1.0
  Re  Re3  1  0.18027609  0.81972391  0.93919728  1.0
  Re  Re4  1  0.18027609  0.81972391  0.56080272  1.0
  Re  Re5  1  0.81972391  0.18027609  0.43919728  1.0
  Ni  Ni6  1  0.25190965  0.74809035  0.25000000  1.0
  Ni  Ni7  1  0.74809035  0.25190965  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