# generated using pymatgen
data_ThNiAs2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26330224
_cell_length_b   4.26330224
_cell_length_c   9.47787109
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThNiAs2Ru
_chemical_formula_sum   'Th2 Ni2 As4 Ru2'
_cell_volume   172.26737750
_cell_formula_units_Z   2
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  0.50000000  0.24731667  1.0
  Th  Th1  1  0.50000000  0.00000000  0.75268333  1.0
  Ni  Ni2  1  0.00000000  0.50000000  0.61152037  1.0
  Ni  Ni3  1  0.50000000  0.00000000  0.38847963  1.0
  As  As4  1  0.00000000  0.00000000  0.50000000  1.0
  As  As5  1  0.50000000  0.50000000  0.50000000  1.0
  As  As6  1  0.00000000  0.50000000  0.86048824  1.0
  As  As7  1  0.50000000  0.00000000  0.13951176  1.0
  Ru  Ru8  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru9  1  0.50000000  0.50000000  0.00000000  1.0