# generated using pymatgen
data_NdMg2(H6Ir)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61623355
_cell_length_b   4.61623450
_cell_length_c   7.98551662
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999324
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdMg2(H6Ir)2
_chemical_formula_sum   'Nd1 Mg2 H12 Ir2'
_cell_volume   147.37007856
_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
  Nd  Nd0  1  0.00000000  0.00000000  0.00000000  1.0
  Mg  Mg1  1  0.66666700  0.33333300  0.37002757  1.0
  Mg  Mg2  1  0.33333300  0.66666700  0.62997243  1.0
  H  H3  1  0.16130080  0.83869920  0.38052239  1.0
  H  H4  1  0.67739840  0.83869920  0.38052239  1.0
  H  H5  1  0.16130080  0.32260160  0.38052239  1.0
  H  H6  1  0.83869920  0.16130080  0.61947761  1.0
  H  H7  1  0.32260160  0.16130080  0.61947761  1.0
  H  H8  1  0.83869920  0.67739840  0.61947761  1.0
  H  H9  1  0.49728163  0.99456326  0.85944376  1.0
  H  H10  1  0.49728163  0.50271837  0.85944376  1.0
  H  H11  1  0.00543674  0.50271837  0.85944376  1.0
  H  H12  1  0.50271837  0.00543674  0.14055624  1.0
  H  H13  1  0.50271837  0.49728163  0.14055624  1.0
  H  H14  1  0.99456326  0.49728163  0.14055624  1.0
  Ir  Ir15  1  0.66666700  0.33333300  0.73191120  1.0
  Ir  Ir16  1  0.33333300  0.66666700  0.26808880  1.0