# generated using pymatgen
data_Nd2GaNiI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22379134
_cell_length_b   4.22379104
_cell_length_c   12.20353079
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999458
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2GaNiI2
_chemical_formula_sum   'Nd2 Ga1 Ni1 I2'
_cell_volume   188.54761234
_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  0.84246435  1.0
  Nd  Nd1  1  0.00000000  0.00000000  0.15831407  1.0
  Ga  Ga2  1  0.66666700  0.33333300  0.00250029  1.0
  Ni  Ni3  1  0.33333300  0.66666700  0.99810525  1.0
  I  I4  1  0.66666700  0.33333300  0.66402864  1.0
  I  I5  1  0.33333300  0.66666700  0.33458839  1.0