# generated using pymatgen
data_ThNi(BRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25133336
_cell_length_b   5.25133276
_cell_length_c   3.11796250
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   116.16100259
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThNi(BRu)2
_chemical_formula_sum   'Th1 Ni1 B2 Ru2'
_cell_volume   77.17432840
_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
  Ni  Ni1  1  0.50000000  0.50000000  0.50000000  1.0
  B  B2  1  0.34270478  0.65729522  0.00000000  1.0
  B  B3  1  0.65729522  0.34270478  0.00000000  1.0
  Ru  Ru4  1  0.50000000  0.00000000  0.50000000  1.0
  Ru  Ru5  1  0.00000000  0.50000000  0.50000000  1.0