# generated using pymatgen
data_CaSn2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83942644
_cell_length_b   5.83942644
_cell_length_c   7.59995139
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   136.35379990
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSn2Ir
_chemical_formula_sum   'Ca2 Sn4 Ir2'
_cell_volume   178.86616657
_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  0.93204980  0.06795020  0.75000000  1.0
  Ca  Ca1  1  0.06795020  0.93204980  0.25000000  1.0
  Sn  Sn2  1  0.64560267  0.35439733  0.95284531  1.0
  Sn  Sn3  1  0.64560267  0.35439733  0.54715469  1.0
  Sn  Sn4  1  0.35439733  0.64560267  0.04715469  1.0
  Sn  Sn5  1  0.35439733  0.64560267  0.45284531  1.0
  Ir  Ir6  1  0.21119250  0.78880750  0.75000000  1.0
  Ir  Ir7  1  0.78880750  0.21119250  0.25000000  1.0