data_ScGa5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGa5
_chemical_formula_sum   'Sc1 Ga5'
_cell_volume   115.74
_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  Sc5  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.68  0.55  0.0  1.0
  Ga  Ga1  1  0.0  0.1  0.0  1.0
  Ga  Ga2  1  0.66  0.32  0.32  1.0
  Ga  Ga3  1  0.34  0.32  0.32  1.0
  Ga  Ga4  1  0.68  0.0  0.32  1.0

data_ScGa5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.65
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGa5
_chemical_formula_sum   'Sc1 Ga5'
_cell_volume   115.74
_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  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.1  1.0
  Ga  Ga2  1  0.0  0.68  0.55  1.0
  Ga  Ga3  1  0.32  0.34  0.32  1.0
  Ga  Ga4  1  0.32  0.66  0.32  1.0
  Ga  Ga5  1  0.32  0.68  0.0  1.0

Sc Ga Ga Ga Ga Ga