# generated using pymatgen
data_Ca2La(H6Ir)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91054754
_cell_length_b   4.91054926
_cell_length_c   8.27721046
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998841
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2La(H6Ir)2
_chemical_formula_sum   'Ca2 La1 H12 Ir2'
_cell_volume   172.85210447
_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  0.66666700  0.33333300  0.36707017  1.0
  Ca  Ca1  1  0.33333300  0.66666700  0.63292983  1.0
  La  La2  1  0.00000000  0.00000000  0.00000000  1.0
  H  H3  1  0.17149385  0.82850615  0.36721341  1.0
  H  H4  1  0.65701329  0.82850615  0.36721341  1.0
  H  H5  1  0.17149385  0.34298671  0.36721341  1.0
  H  H6  1  0.82850615  0.17149385  0.63278659  1.0
  H  H7  1  0.34298671  0.17149385  0.63278659  1.0
  H  H8  1  0.82850615  0.65701329  0.63278659  1.0
  H  H9  1  0.50553621  0.01107141  0.86759476  1.0
  H  H10  1  0.50553621  0.49446379  0.86759476  1.0
  H  H11  1  0.98892859  0.49446379  0.86759476  1.0
  H  H12  1  0.49446379  0.98892859  0.13240524  1.0
  H  H13  1  0.49446379  0.50553621  0.13240524  1.0
  H  H14  1  0.01107141  0.50553621  0.13240524  1.0
  Ir  Ir15  1  0.66666700  0.33333300  0.74806525  1.0
  Ir  Ir16  1  0.33333300  0.66666700  0.25193475  1.0