# generated using pymatgen
data_NdTh7(Si3Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.26771621
_cell_length_b   8.26771674
_cell_length_c   8.33057613
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999393
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdTh7(Si3Ru)4
_chemical_formula_sum   'Nd1 Th7 Si12 Ru4'
_cell_volume   493.14751130
_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
  Nd  Nd0  1  0.00000000  0.00000000  0.25000000  1.0
  Th  Th1  1  0.50000020  0.49999980  0.75000000  1.0
  Th  Th2  1  0.50003020  0.49996980  0.25000000  1.0
  Th  Th3  1  0.99999859  0.49999980  0.75000000  1.0
  Th  Th4  1  0.99993960  0.49996980  0.25000000  1.0
  Th  Th5  1  0.50000020  0.00000141  0.75000000  1.0
  Th  Th6  1  0.50003020  0.00006040  0.25000000  1.0
  Th  Th7  1  0.00000000  0.00000000  0.75000000  1.0
  Si  Si8  1  0.83361447  0.16638553  0.99826597  1.0
  Si  Si9  1  0.16639860  0.83360140  0.99830808  1.0
  Si  Si10  1  0.33277105  0.16638553  0.99826597  1.0
  Si  Si11  1  0.16639860  0.83360140  0.50169192  1.0
  Si  Si12  1  0.66720180  0.83360140  0.99830808  1.0
  Si  Si13  1  0.83361447  0.16638553  0.50173403  1.0
  Si  Si14  1  0.83361447  0.66722895  0.99826597  1.0
  Si  Si15  1  0.66720180  0.83360140  0.50169192  1.0
  Si  Si16  1  0.16639860  0.33279820  0.99830808  1.0
  Si  Si17  1  0.33277105  0.16638553  0.50173403  1.0
  Si  Si18  1  0.16639860  0.33279820  0.50169192  1.0
  Si  Si19  1  0.83361447  0.66722895  0.50173403  1.0
  Ru  Ru20  1  0.66666700  0.33333300  0.00514610  1.0
  Ru  Ru21  1  0.33333300  0.66666700  0.00587717  1.0
  Ru  Ru22  1  0.33333300  0.66666700  0.49412283  1.0
  Ru  Ru23  1  0.66666700  0.33333300  0.49485390  1.0