# generated using pymatgen
data_Th2Nb3Ni9As7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92489974
_cell_length_b   9.60372853
_cell_length_c   9.60373032
_cell_angle_alpha   120.00000184
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Nb3Ni9As7
_chemical_formula_sum   'Th2 Nb3 Ni9 As7'
_cell_volume   313.50106600
_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  0.66666700  0.33333300  1.0
  Th  Th1  1  0.50000000  0.33333300  0.66666700  1.0
  Nb  Nb2  1  0.50000000  0.78108790  0.88754187  1.0
  Nb  Nb3  1  0.50000000  0.10645498  0.21891210  1.0
  Nb  Nb4  1  0.50000000  0.11245813  0.89354502  1.0
  Ni  Ni5  1  0.00000000  0.57153314  0.92381701  1.0
  Ni  Ni6  1  0.00000000  0.35228288  0.42846686  1.0
  Ni  Ni7  1  0.00000000  0.07618299  0.64771712  1.0
  Ni  Ni8  1  0.00000000  0.86271531  0.14803219  1.0
  Ni  Ni9  1  0.00000000  0.28531788  0.13728469  1.0
  Ni  Ni10  1  0.00000000  0.85196781  0.71468212  1.0
  Ni  Ni11  1  0.50000000  0.92884968  0.36571252  1.0
  Ni  Ni12  1  0.50000000  0.43686384  0.07115032  1.0
  Ni  Ni13  1  0.50000000  0.63428748  0.56313616  1.0
  As  As14  1  0.50000000  0.69652559  0.10155174  1.0
  As  As15  1  0.50000000  0.40502815  0.30347441  1.0
  As  As16  1  0.50000000  0.89844826  0.59497185  1.0
  As  As17  1  0.00000000  0.00000000  0.00000000  1.0
  As  As18  1  0.00000000  0.58830822  0.68392125  1.0
  As  As19  1  0.00000000  0.09561203  0.41169178  1.0
  As  As20  1  0.00000000  0.31607875  0.90438797  1.0