# generated using pymatgen
data_CaU2(SnIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45391549
_cell_length_b   7.45391477
_cell_length_c   4.03210814
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   121.34005241
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaU2(SnIr)3
_chemical_formula_sum   'Ca1 U2 Sn3 Ir3'
_cell_volume   191.34074864
_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  0.40865805  0.40865805  0.50000000  1.0
  U  U1  1  0.58480321  0.00579548  0.50000000  1.0
  U  U2  1  0.00579548  0.58480321  0.50000000  1.0
  Sn  Sn3  1  0.73083107  0.73083107  0.00000000  1.0
  Sn  Sn4  1  0.25265723  0.01349479  0.00000000  1.0
  Sn  Sn5  1  0.01349479  0.25265723  0.00000000  1.0
  Ir  Ir6  1  0.69400425  0.33025925  0.00000000  1.0
  Ir  Ir7  1  0.33025925  0.69400425  0.00000000  1.0
  Ir  Ir8  1  0.97949667  0.97949667  0.50000000  1.0