# generated using pymatgen
data_Th3NiSn3Ru2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.53065579
_cell_length_b   7.53065538
_cell_length_c   4.03734664
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999311
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3NiSn3Ru2
_chemical_formula_sum   'Th3 Ni1 Sn3 Ru2'
_cell_volume   198.28610045
_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  0.58426144  0.50000000  1.0
  Th  Th1  1  0.41573856  0.41573856  0.50000000  1.0
  Th  Th2  1  0.58426144  0.00000000  0.50000000  1.0
  Ni  Ni3  1  0.00000000  0.00000000  0.50000000  1.0
  Sn  Sn4  1  0.75624486  0.75624486  0.00000000  1.0
  Sn  Sn5  1  0.00000000  0.24375514  0.00000000  1.0
  Sn  Sn6  1  0.24375514  0.00000000  0.00000000  1.0
  Ru  Ru7  1  0.33333300  0.66666700  0.00000000  1.0
  Ru  Ru8  1  0.66666700  0.33333300  0.00000000  1.0