data_ScNbGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84
_cell_length_b   6.83
_cell_length_c   2.93
_cell_angle_alpha   77.84
_cell_angle_beta   77.42
_cell_angle_gamma   24.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNbGa
_chemical_formula_sum   'Sc1 Nb1 Ga1'
_cell_volume   55.82
_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  Sc2  1  0.05  0.09  0.41  1.0
  Nb  Nb1  1  0.05  0.09  0.56  1.0
  Ga  Ga0  1  0.05  0.09  0.05  1.0

data_ScNbGa
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   2.93
_cell_length_b   13.02
_cell_length_c   2.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   ScNbGa
_chemical_formula_sum   'Sc2 Nb2 Ga2'
_cell_volume   111.65
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  2  0.0  0.0  0.5  1.0
  Nb  Nb1  2  0.0  0.0  0.35  1.0
  Ga  Ga2  2  0.0  0.0  0.86  1.0

Sc Nb Ga