# generated using pymatgen
data_CaIn2(SnIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98699293
_cell_length_b   6.98699321
_cell_length_c   6.94498040
_cell_angle_alpha   120.64238212
_cell_angle_beta   120.64238341
_cell_angle_gamma   89.24215947
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaIn2(SnIr)4
_chemical_formula_sum   'Ca1 In2 Sn4 Ir4'
_cell_volume   236.63803437
_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  0.99800469  0.99800469  1.00000000  1.0
  In  In1  1  0.88298613  0.53749413  1.00000000  1.0
  In  In2  1  0.53749413  0.88298613  1.00000000  1.0
  Sn  Sn3  1  0.46120617  0.46120617  0.34124841  1.0
  Sn  Sn4  1  0.50015597  0.00015697  0.49999900  1.0
  Sn  Sn5  1  0.00015697  0.50015597  0.49999900  1.0
  Sn  Sn6  1  0.11995677  0.11995677  0.65875059  1.0
  Ir  Ir7  1  0.59291217  0.25495902  1.00000000  1.0
  Ir  Ir8  1  0.25495902  0.59291217  1.00000000  1.0
  Ir  Ir9  1  0.75614553  0.75614553  0.36012608  1.0
  Ir  Ir10  1  0.39601844  0.39601844  0.63987292  1.0