# generated using pymatgen
data_Nd4SiNi3I2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.10232381
_cell_length_b   4.10232543
_cell_length_c   17.28120093
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998692
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd4SiNi3I2
_chemical_formula_sum   'Nd4 Si1 Ni3 I2'
_cell_volume   251.86316431
_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  0.10476079  1.0
  Nd  Nd1  1  0.00000000  0.00000000  0.89585751  1.0
  Nd  Nd2  1  0.00000000  0.00000000  0.60749907  1.0
  Nd  Nd3  1  0.00000000  0.00000000  0.39557906  1.0
  Si  Si4  1  0.33333300  0.66666700  0.50622163  1.0
  Ni  Ni5  1  0.66666700  0.33333300  0.49137268  1.0
  Ni  Ni6  1  0.66666700  0.33333300  0.00006334  1.0
  Ni  Ni7  1  0.33333300  0.66666700  0.00009013  1.0
  I  I8  1  0.33333300  0.66666700  0.25103754  1.0
  I  I9  1  0.66666700  0.33333300  0.74751724  1.0