# generated using pymatgen
data_NdZr8(In2Ru)7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.66742332
_cell_length_b   9.66743319
_cell_length_c   9.66782725
_cell_angle_alpha   59.99865493
_cell_angle_beta   59.99862116
_cell_angle_gamma   59.99371805
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdZr8(In2Ru)7
_chemical_formula_sum   'Nd1 Zr8 In14 Ru7'
_cell_volume   638.86079389
_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  0.50000000  0.50000000  0.50000000  1.0
  Zr  Zr1  1  0.12056194  0.63840321  0.12051743  1.0
  Zr  Zr2  1  0.36159779  0.87943806  0.87948157  1.0
  Zr  Zr3  1  0.87948268  0.87948268  0.87953415  1.0
  Zr  Zr4  1  0.63840221  0.12056194  0.12051843  1.0
  Zr  Zr5  1  0.87948268  0.87948268  0.36149949  1.0
  Zr  Zr6  1  0.12051732  0.12051732  0.12046585  1.0
  Zr  Zr7  1  0.87943806  0.36159679  0.87948257  1.0
  Zr  Zr8  1  0.12051732  0.12051732  0.63850051  1.0
  In  In9  1  0.49999586  0.84650889  0.15350477  1.0
  In  In10  1  0.49999586  0.84650889  0.49998948  1.0
  In  In11  1  0.50000414  0.15349111  0.50001052  1.0
  In  In12  1  0.50000000  0.50000000  0.84650080  1.0
  In  In13  1  0.15349111  0.50000314  0.50001152  1.0
  In  In14  1  0.84649222  0.15350678  0.50000000  1.0
  In  In15  1  0.15350778  0.84649322  0.50000000  1.0
  In  In16  1  0.50000414  0.15349111  0.84649523  1.0
  In  In17  1  0.15349111  0.50000314  0.84649423  1.0
  In  In18  1  0.50000000  0.50000000  0.15349920  1.0
  In  In19  1  0.84650889  0.49999686  0.49998848  1.0
  In  In20  1  0.84650889  0.49999686  0.15350577  1.0
  In  In21  1  0.24989982  0.24990082  0.25009918  1.0
  In  In22  1  0.75010018  0.75009918  0.74990082  1.0
  Ru  Ru23  1  0.77666164  0.77666264  0.22333836  1.0
  Ru  Ru24  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru25  1  0.22335434  0.77664666  0.22334261  1.0
  Ru  Ru26  1  0.22335434  0.77664666  0.77665739  1.0
  Ru  Ru27  1  0.22333836  0.22333736  0.77666164  1.0
  Ru  Ru28  1  0.77664566  0.22335334  0.77665739  1.0
  Ru  Ru29  1  0.77664566  0.22335334  0.22334261  1.0