# generated using pymatgen
data_CaAc(SnIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.60963773
_cell_length_b   7.44580591
_cell_length_c   8.15481219
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAc(SnIr)2
_chemical_formula_sum   'Ca2 Ac2 Sn4 Ir4'
_cell_volume   279.89327912
_cell_formula_units_Z   2
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  0.75000000  0.97128387  0.68508480  1.0
  Ca  Ca1  1  0.75000000  0.47128387  0.81491520  1.0
  Ac  Ac2  1  0.25000000  0.02441279  0.32544889  1.0
  Ac  Ac3  1  0.25000000  0.52441279  0.17455111  1.0
  Sn  Sn4  1  0.25000000  0.15112742  0.91861119  1.0
  Sn  Sn5  1  0.25000000  0.65112742  0.58138881  1.0
  Sn  Sn6  1  0.75000000  0.84915313  0.05653071  1.0
  Sn  Sn7  1  0.75000000  0.34915313  0.44346929  1.0
  Ir  Ir8  1  0.25000000  0.28535177  0.61367448  1.0
  Ir  Ir9  1  0.25000000  0.78535177  0.88632552  1.0
  Ir  Ir10  1  0.75000000  0.71867102  0.38301773  1.0
  Ir  Ir11  1  0.75000000  0.21867102  0.11698227  1.0