# generated using pymatgen
data_Ca(Sn2Ir)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39943517
_cell_length_b   7.28283541
_cell_length_c   18.55206435
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(Sn2Ir)2
_chemical_formula_sum   'Ca4 Sn16 Ir8'
_cell_volume   594.41486163
_cell_formula_units_Z   4
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  0.25000000  0.98648751  0.85674345  1.0
  Ca  Ca1  1  0.25000000  0.51351249  0.35674345  1.0
  Ca  Ca2  1  0.75000000  0.01351249  0.14325655  1.0
  Ca  Ca3  1  0.75000000  0.48648751  0.64325655  1.0
  Sn  Sn4  1  0.25000000  0.30714106  0.18284198  1.0
  Sn  Sn5  1  0.25000000  0.19285894  0.68284198  1.0
  Sn  Sn6  1  0.75000000  0.69285894  0.81715802  1.0
  Sn  Sn7  1  0.75000000  0.80714106  0.31715802  1.0
  Sn  Sn8  1  0.25000000  0.73352639  0.19295299  1.0
  Sn  Sn9  1  0.25000000  0.76647361  0.69295299  1.0
  Sn  Sn10  1  0.75000000  0.26647361  0.80704701  1.0
  Sn  Sn11  1  0.75000000  0.23352639  0.30704701  1.0
  Sn  Sn12  1  0.25000000  0.87223484  0.03370334  1.0
  Sn  Sn13  1  0.25000000  0.62776516  0.53370334  1.0
  Sn  Sn14  1  0.75000000  0.12776516  0.96629666  1.0
  Sn  Sn15  1  0.75000000  0.37223484  0.46629666  1.0
  Sn  Sn16  1  0.25000000  0.51904523  0.93192894  1.0
  Sn  Sn17  1  0.25000000  0.98095477  0.43192894  1.0
  Sn  Sn18  1  0.75000000  0.48095477  0.06807106  1.0
  Sn  Sn19  1  0.75000000  0.01904523  0.56807106  1.0
  Ir  Ir20  1  0.25000000  0.25495161  0.03667840  1.0
  Ir  Ir21  1  0.25000000  0.24504839  0.53667840  1.0
  Ir  Ir22  1  0.75000000  0.74504839  0.96332160  1.0
  Ir  Ir23  1  0.75000000  0.75495161  0.46332160  1.0
  Ir  Ir24  1  0.25000000  0.02243206  0.28523886  1.0
  Ir  Ir25  1  0.25000000  0.47756794  0.78523886  1.0
  Ir  Ir26  1  0.75000000  0.97756794  0.71476114  1.0
  Ir  Ir27  1  0.75000000  0.52243206  0.21476114  1.0