# generated using pymatgen
data_Nd3Mg3Cu2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56439301
_cell_length_b   7.56439266
_cell_length_c   4.07113598
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999307
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3Mg3Cu2Ir
_chemical_formula_sum   'Nd3 Mg3 Cu2 Ir1'
_cell_volume   201.74111623
_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  0.01401945  0.59192702  0.50000000  1.0
  Nd  Nd1  1  0.40807298  0.42209243  0.50000000  1.0
  Nd  Nd2  1  0.57790757  0.98598055  0.50000000  1.0
  Mg  Mg3  1  0.75847998  0.75912396  0.00000000  1.0
  Mg  Mg4  1  0.00064298  0.24152002  0.00000000  1.0
  Mg  Mg5  1  0.24087604  0.99935702  0.00000000  1.0
  Cu  Cu6  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu7  1  0.66666700  0.33333300  0.00000000  1.0
  Ir  Ir8  1  0.33333300  0.66666700  0.00000000  1.0