# generated using pymatgen
data_ScNb2(GaIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44454249
_cell_length_b   7.43193789
_cell_length_c   2.97706220
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.05611488
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNb2(GaIr)3
_chemical_formula_sum   'Sc1 Nb2 Ga3 Ir3'
_cell_volume   142.56495301
_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
  Sc  Sc0  1  0.37552429  1.00000000  0.50000100  1.0
  Nb  Nb1  1  0.00034355  0.37046499  0.50000100  1.0
  Nb  Nb2  1  0.62987856  0.62953501  0.50000100  1.0
  Ga  Ga3  1  0.70483669  1.00000000  0.00000000  1.0
  Ga  Ga4  1  0.29215024  0.29063131  0.00000000  1.0
  Ga  Ga5  1  0.00151993  0.70936969  0.00000000  1.0
  Ir  Ir6  1  0.67029362  0.33673369  0.00000000  1.0
  Ir  Ir7  1  0.33355993  0.66326731  0.00000000  1.0
  Ir  Ir8  1  0.99189118  0.00000000  0.50000100  1.0