# generated using pymatgen
data_Th(MoC)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21767098
_cell_length_b   6.21767101
_cell_length_c   6.21767144
_cell_angle_alpha   93.95896779
_cell_angle_beta   93.95897253
_cell_angle_gamma   149.53236965
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th(MoC)4
_chemical_formula_sum   'Th1 Mo4 C4'
_cell_volume   117.59811025
_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  0.00000000  0.00000000  0.00000000  1.0
  Mo  Mo1  1  0.63223017  0.82087386  0.45310403  1.0
  Mo  Mo2  1  0.36776983  0.17912614  0.54689597  1.0
  Mo  Mo3  1  0.82087386  0.36776983  0.18864269  1.0
  Mo  Mo4  1  0.17912614  0.63223017  0.81135731  1.0
  C  C5  1  0.26567386  0.40150935  0.66718322  1.0
  C  C6  1  0.73432614  0.59849065  0.33281678  1.0
  C  C7  1  0.40150935  0.73432614  0.13583449  1.0
  C  C8  1  0.59849065  0.26567386  0.86416551  1.0