# generated using pymatgen
data_CaNi(Sb4Ru)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04036932
_cell_length_b   8.04036994
_cell_length_c   8.10282500
_cell_angle_alpha   109.62864818
_cell_angle_beta   109.62864978
_cell_angle_gamma   109.31333564
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNi(Sb4Ru)3
_chemical_formula_sum   'Ca1 Ni1 Sb12 Ru3'
_cell_volume   402.45666103
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni1  1  0.00000000  0.00000000  0.50000000  1.0
  Sb  Sb2  1  0.15534817  0.81703201  0.65850078  1.0
  Sb  Sb3  1  0.84465183  0.18296799  0.34149922  1.0
  Sb  Sb4  1  0.84293640  0.50284045  0.66151105  1.0
  Sb  Sb5  1  0.15706360  0.49715955  0.33848895  1.0
  Sb  Sb6  1  0.81703201  0.66168484  0.15853224  1.0
  Sb  Sb7  1  0.18296799  0.33831516  0.84146776  1.0
  Sb  Sb8  1  0.50284045  0.65990406  0.84132941  1.0
  Sb  Sb9  1  0.49715955  0.34009594  0.15867059  1.0
  Sb  Sb10  1  0.65990406  0.15706360  0.81857565  1.0
  Sb  Sb11  1  0.34009594  0.84293640  0.18142435  1.0
  Sb  Sb12  1  0.66168484  0.84465183  0.50315261  1.0
  Sb  Sb13  1  0.33831516  0.15534817  0.49684739  1.0
  Ru  Ru14  1  0.50000000  0.00000000  0.00000000  1.0
  Ru  Ru15  1  0.00000000  0.50000000  0.00000000  1.0
  Ru  Ru16  1  0.50000000  0.50000000  0.50000000  1.0