# generated using pymatgen
data_CaIn4Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26814754
_cell_length_b   7.49250453
_cell_length_c   8.72750075
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaIn4Ir
_chemical_formula_sum   'Ca2 In8 Ir2'
_cell_volume   279.09774821
_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  0.00000000  0.40158128  0.25000000  1.0
  Ca  Ca1  1  0.00000000  0.59841872  0.75000000  1.0
  In  In2  1  0.00000000  -0.00000000  -0.00000000  1.0
  In  In3  1  0.50000000  0.31402917  0.56494382  1.0
  In  In4  1  0.50000000  0.06729658  0.25000000  1.0
  In  In5  1  0.00000000  -0.00000000  0.50000000  1.0
  In  In6  1  0.50000000  0.93270342  0.75000000  1.0
  In  In7  1  0.50000000  0.31402917  0.93505618  1.0
  In  In8  1  0.50000000  0.68597083  0.06494382  1.0
  In  In9  1  0.50000000  0.68597083  0.43505618  1.0
  Ir  Ir10  1  0.00000000  0.80610944  0.25000000  1.0
  Ir  Ir11  1  0.00000000  0.19389056  0.75000000  1.0