# generated using pymatgen
data_ThOs3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03910468
_cell_length_b   5.77399597
_cell_length_c   7.70184027
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.47207166
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThOs3C
_chemical_formula_sum   'Th2 Os6 C2'
_cell_volume   168.21491890
_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  0.96008102  0.07828778  0.25000100  1.0
  Th  Th1  1  0.03991998  0.92171322  0.75000000  1.0
  Os  Os2  1  0.23239155  0.53654701  0.25000100  1.0
  Os  Os3  1  0.76760945  0.46345199  0.75000000  1.0
  Os  Os4  1  0.67128116  0.65807778  0.05849593  1.0
  Os  Os5  1  0.67128116  0.65807778  0.44150407  1.0
  Os  Os6  1  0.32871984  0.34192222  0.55849593  1.0
  Os  Os7  1  0.32871984  0.34192222  0.94150507  1.0
  C  C8  1  0.50000100  0.00000000  0.00000000  1.0
  C  C9  1  0.50000100  0.00000000  0.50000000  1.0