# generated using pymatgen
data_CsNd2(H6Ir)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14324542
_cell_length_b   5.14324577
_cell_length_c   9.84089663
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000417
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsNd2(H6Ir)2
_chemical_formula_sum   'Cs1 Nd2 H12 Ir2'
_cell_volume   225.44458531
_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
  Cs  Cs0  1  0.00000000  0.00000000  0.00000000  1.0
  Nd  Nd1  1  0.66666700  0.33333300  0.37483635  1.0
  Nd  Nd2  1  0.33333300  0.66666700  0.62516365  1.0
  H  H3  1  0.17579311  0.82420689  0.39389330  1.0
  H  H4  1  0.64841278  0.82420689  0.39389330  1.0
  H  H5  1  0.17579311  0.35158722  0.39389330  1.0
  H  H6  1  0.82420689  0.17579311  0.60610670  1.0
  H  H7  1  0.35158722  0.17579311  0.60610670  1.0
  H  H8  1  0.82420689  0.64841278  0.60610670  1.0
  H  H9  1  0.51757845  0.03515589  0.80662349  1.0
  H  H10  1  0.51757845  0.48242155  0.80662349  1.0
  H  H11  1  0.96484411  0.48242155  0.80662349  1.0
  H  H12  1  0.48242155  0.96484411  0.19337651  1.0
  H  H13  1  0.48242155  0.51757845  0.19337651  1.0
  H  H14  1  0.03515589  0.51757845  0.19337651  1.0
  Ir  Ir15  1  0.66666700  0.33333300  0.70314558  1.0
  Ir  Ir16  1  0.33333300  0.66666700  0.29685442  1.0