# generated using pymatgen
data_ThCo3(Ni3B2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97854894
_cell_length_b   5.97854900
_cell_length_c   5.97854929
_cell_angle_alpha   104.58015253
_cell_angle_beta   104.58011941
_cell_angle_gamma   104.58015463
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThCo3(Ni3B2)3
_chemical_formula_sum   'Th1 Co3 Ni9 B6'
_cell_volume   188.48339347
_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
  Co  Co1  1  0.86569753  0.13430247  0.50000000  1.0
  Co  Co2  1  0.13430247  0.50000000  0.86569753  1.0
  Co  Co3  1  0.50000000  0.86569753  0.13430247  1.0
  Ni  Ni4  1  0.86728076  0.50000000  0.13271924  1.0
  Ni  Ni5  1  0.50000000  0.13271924  0.86728076  1.0
  Ni  Ni6  1  0.13271924  0.86728076  0.50000000  1.0
  Ni  Ni7  1  0.81264033  0.54652710  0.54485691  1.0
  Ni  Ni8  1  0.54652710  0.54485691  0.81264033  1.0
  Ni  Ni9  1  0.54485691  0.81264033  0.54652710  1.0
  Ni  Ni10  1  0.18735967  0.45514309  0.45347290  1.0
  Ni  Ni11  1  0.45514309  0.45347290  0.18735967  1.0
  Ni  Ni12  1  0.45347290  0.18735967  0.45514309  1.0
  B  B13  1  0.33502575  0.76644542  0.77292159  1.0
  B  B14  1  0.76644542  0.77292159  0.33502575  1.0
  B  B15  1  0.77292159  0.33502575  0.76644542  1.0
  B  B16  1  0.66497425  0.22707841  0.23355458  1.0
  B  B17  1  0.22707841  0.23355458  0.66497425  1.0
  B  B18  1  0.23355458  0.66497425  0.22707841  1.0