# generated using pymatgen
data_ThZr8(In2Ru)7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.66755130
_cell_length_b   9.66755080
_cell_length_c   9.66755139
_cell_angle_alpha   59.99999795
_cell_angle_beta   59.99999966
_cell_angle_gamma   60.00000390
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThZr8(In2Ru)7
_chemical_formula_sum   'Th1 Zr8 In14 Ru7'
_cell_volume   638.90228940
_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  0.50000000  0.50000000  0.50000000  1.0
  Zr  Zr1  1  0.12047565  0.63857204  0.12047565  1.0
  Zr  Zr2  1  0.36142796  0.87952435  0.87952435  1.0
  Zr  Zr3  1  0.87952435  0.87952435  0.87952435  1.0
  Zr  Zr4  1  0.63857204  0.12047565  0.12047565  1.0
  Zr  Zr5  1  0.87952435  0.87952435  0.36142796  1.0
  Zr  Zr6  1  0.12047565  0.12047565  0.12047565  1.0
  Zr  Zr7  1  0.87952435  0.36142796  0.87952435  1.0
  Zr  Zr8  1  0.12047565  0.12047565  0.63857204  1.0
  In  In9  1  0.50000000  0.84789194  0.15210806  1.0
  In  In10  1  0.50000000  0.84789194  0.50000000  1.0
  In  In11  1  0.50000000  0.15210806  0.50000000  1.0
  In  In12  1  0.50000000  0.50000000  0.84789194  1.0
  In  In13  1  0.15210806  0.50000000  0.50000000  1.0
  In  In14  1  0.84789194  0.15210806  0.50000000  1.0
  In  In15  1  0.15210806  0.84789194  0.50000000  1.0
  In  In16  1  0.50000000  0.15210806  0.84789194  1.0
  In  In17  1  0.15210806  0.50000000  0.84789194  1.0
  In  In18  1  0.50000000  0.50000000  0.15210806  1.0
  In  In19  1  0.84789194  0.50000000  0.50000000  1.0
  In  In20  1  0.84789194  0.50000000  0.15210806  1.0
  In  In21  1  0.25000000  0.25000000  0.25000000  1.0
  In  In22  1  0.75000000  0.75000000  0.75000000  1.0
  Ru  Ru23  1  0.77588828  0.77588828  0.22411172  1.0
  Ru  Ru24  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru25  1  0.22411172  0.77588828  0.22411172  1.0
  Ru  Ru26  1  0.22411172  0.77588828  0.77588828  1.0
  Ru  Ru27  1  0.22411172  0.22411172  0.77588828  1.0
  Ru  Ru28  1  0.77588828  0.22411172  0.77588828  1.0
  Ru  Ru29  1  0.77588828  0.22411172  0.22411172  1.0