# generated using pymatgen
data_NdSiPIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23169808
_cell_length_b   4.23169808
_cell_length_c   9.52131340
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdSiPIr2
_chemical_formula_sum   'Nd2 Si2 P2 Ir4'
_cell_volume   170.50071707
_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
  Nd  Nd0  1  0.00000000  0.50000000  0.26338890  1.0
  Nd  Nd1  1  0.50000000  0.00000000  0.73661110  1.0
  Si  Si2  1  0.00000000  0.50000000  0.86801019  1.0
  Si  Si3  1  0.50000000  0.00000000  0.13198981  1.0
  P  P4  1  0.00000000  0.00000000  0.50000000  1.0
  P  P5  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir6  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir7  1  0.50000000  0.50000000  0.00000000  1.0
  Ir  Ir8  1  0.00000000  0.50000000  0.61046191  1.0
  Ir  Ir9  1  0.50000000  0.00000000  0.38953809  1.0