data_ScGaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.55
_cell_length_c   3.39
_cell_angle_alpha   76.88
_cell_angle_beta   68.5
_cell_angle_gamma   34.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGaGe
_chemical_formula_sum   'Sc1 Ga1 Ge1'
_cell_volume   57.25
_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  0.07  0.69  0.89  1.0
  Ga  Ga0  1  0.07  0.69  0.19  1.0
  Ge  Ge1  1  0.07  0.69  0.52  1.0

data_ScGaGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.13
_cell_length_b   10.31
_cell_length_c   3.39
_cell_angle_alpha   90.0
_cell_angle_beta   127.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScGaGe
_chemical_formula_sum   'Sc2 Ga2 Ge2'
_cell_volume   114.51
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.39  0.5  0.96  1.0
  Ga  Ga1  2  0.19  0.0  0.26  1.0
  Ge  Ge2  2  0.02  0.5  0.59  1.0

Sc Ga Ge
Sc Ga Ge 0 1 o o + 0 2 o o o 1 2 o o o 