# generated using pymatgen
data_CaCr2(Sb6Ru)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19062362
_cell_length_b   8.15880526
_cell_length_c   8.15880522
_cell_angle_alpha   109.55329774
_cell_angle_beta   109.40738989
_cell_angle_gamma   109.29603260
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCr2(Sb6Ru)2
_chemical_formula_sum   'Ca1 Cr2 Sb12 Ru2'
_cell_volume   420.51828878
_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
  Cr  Cr1  1  0.00000000  0.50000000  0.00000000  1.0
  Cr  Cr2  1  0.00000000  0.00000000  0.50000000  1.0
  Sb  Sb3  1  0.84000089  0.65275750  0.50421210  1.0
  Sb  Sb4  1  0.15999911  0.34724250  0.49578790  1.0
  Sb  Sb5  1  0.15999911  0.66421121  0.81275761  1.0
  Sb  Sb6  1  0.84000089  0.33578879  0.18724239  1.0
  Sb  Sb7  1  0.65253037  0.50329934  0.84023546  1.0
  Sb  Sb8  1  0.34746963  0.49670066  0.15976454  1.0
  Sb  Sb9  1  0.65253037  0.81229590  0.14923103  1.0
  Sb  Sb10  1  0.34746963  0.18770410  0.85076897  1.0
  Sb  Sb11  1  0.50590197  0.84268477  0.66321720  1.0
  Sb  Sb12  1  0.49409803  0.15731523  0.33678280  1.0
  Sb  Sb13  1  0.19520834  0.84884840  0.34635993  1.0
  Sb  Sb14  1  0.80479166  0.15115160  0.65364007  1.0
  Ru  Ru15  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru16  1  0.50000000  0.00000000  0.00000000  1.0