# generated using pymatgen
data_CaSn6(IrRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91673649
_cell_length_b   6.91673661
_cell_length_c   6.92784085
_cell_angle_alpha   119.96221712
_cell_angle_beta   119.96221683
_cell_angle_gamma   89.97356684
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSn6(IrRu)2
_chemical_formula_sum   'Ca1 Sn6 Ir2 Ru2'
_cell_volume   234.68226427
_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  0.00036781  0.00036781  0.00073562  1.0
  Sn  Sn1  1  0.46550265  0.46550265  0.58809973  1.0
  Sn  Sn2  1  0.12259708  0.12259708  0.58809973  1.0
  Sn  Sn3  1  0.88427913  0.52825818  0.41253631  1.0
  Sn  Sn4  1  0.52825818  0.88427913  0.41253631  1.0
  Sn  Sn5  1  0.99485134  0.49485134  0.98970269  1.0
  Sn  Sn6  1  0.49485134  0.99485134  0.98970269  1.0
  Ir  Ir7  1  0.40881946  0.40881946  0.16434723  1.0
  Ir  Ir8  1  0.75552776  0.75552776  0.16434723  1.0
  Ru  Ru9  1  0.25336638  0.59157785  0.84494524  1.0
  Ru  Ru10  1  0.59157785  0.25336638  0.84494524  1.0