# generated using pymatgen
data_YThReC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28107369
_cell_length_b   6.66766406
_cell_length_c   9.86251722
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YThReC2
_chemical_formula_sum   'Y4 Th4 Re4 C8'
_cell_volume   347.28315070
_cell_formula_units_Z   4
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
  Y  Y0  1  0.25000000  0.82333270  0.05138663  1.0
  Y  Y1  1  0.75000000  0.67666730  0.55138663  1.0
  Y  Y2  1  0.25000000  0.32333270  0.44861337  1.0
  Y  Y3  1  0.75000000  0.17666730  0.94861337  1.0
  Th  Th4  1  0.25000000  0.47045421  0.78545724  1.0
  Th  Th5  1  0.75000000  0.02954579  0.28545724  1.0
  Th  Th6  1  0.25000000  0.97045421  0.71454276  1.0
  Th  Th7  1  0.75000000  0.52954579  0.21454276  1.0
  Re  Re8  1  0.25000000  0.27039794  0.13757373  1.0
  Re  Re9  1  0.75000000  0.22960206  0.63757373  1.0
  Re  Re10  1  0.25000000  0.77039794  0.36242627  1.0
  Re  Re11  1  0.75000000  0.72960206  0.86242627  1.0
  C  C12  1  0.25000000  0.17154651  0.94961620  1.0
  C  C13  1  0.75000000  0.82845349  0.05038380  1.0
  C  C14  1  0.25000000  0.67154651  0.55038380  1.0
  C  C15  1  0.75000000  0.32845349  0.44961620  1.0
  C  C16  1  0.25000000  0.03902014  0.26167764  1.0
  C  C17  1  0.75000000  0.46097986  0.76167764  1.0
  C  C18  1  0.25000000  0.53902014  0.23832236  1.0
  C  C19  1  0.75000000  0.96097986  0.73832236  1.0