# generated using pymatgen
data_Nd2GaIrI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32067540
_cell_length_b   4.32067404
_cell_length_c   17.26706730
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000300
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2GaIrI
_chemical_formula_sum   'Nd4 Ga2 Ir2 I2'
_cell_volume   279.15945682
_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  0.00000000  0.39554661  1.0
  Nd  Nd1  1  0.00000000  0.00000000  0.89554661  1.0
  Nd  Nd2  1  0.00000000  0.00000000  0.60621440  1.0
  Nd  Nd3  1  0.00000000  0.00000000  0.10621440  1.0
  Ga  Ga4  1  0.33333300  0.66666700  0.50184352  1.0
  Ga  Ga5  1  0.66666700  0.33333300  0.00184352  1.0
  Ir  Ir6  1  0.66666700  0.33333300  0.49775492  1.0
  Ir  Ir7  1  0.33333300  0.66666700  0.99775492  1.0
  I  I8  1  0.33333300  0.66666700  0.24864055  1.0
  I  I9  1  0.66666700  0.33333300  0.74864055  1.0