# generated using pymatgen
data_ThBeRe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63065910
_cell_length_b   5.63065826
_cell_length_c   7.36266333
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   138.82121568
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThBeRe2C
_chemical_formula_sum   'Th2 Be2 Re4 C2'
_cell_volume   153.69165869
_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  0.53557025  0.46442975  0.25000000  1.0
  Th  Th1  1  0.46442975  0.53557025  0.75000000  1.0
  Be  Be2  1  0.25842507  0.74157493  0.25000000  1.0
  Be  Be3  1  0.74157493  0.25842507  0.75000000  1.0
  Re  Re4  1  0.81521428  0.18478572  0.06264075  1.0
  Re  Re5  1  0.18478572  0.81521428  0.93735925  1.0
  Re  Re6  1  0.18478572  0.81521428  0.56264075  1.0
  Re  Re7  1  0.81521428  0.18478572  0.43735925  1.0
  C  C8  1  0.00000000  0.00000000  0.00000000  1.0
  C  C9  1  0.00000000  0.00000000  0.50000000  1.0