data_ScAlGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAlGe2
_chemical_formula_sum   'Sc1 Al1 Ge2'
_cell_volume   76.32
_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  Sc3  1  0.0  0.0  0.56  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.99  0.0  0.76  1.0
  Ge  Ge2  1  0.99  0.0  0.36  1.0

data_ScAlGe2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   3.99
_cell_length_b   5.38
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   ScAlGe2
_chemical_formula_sum   'Sc2 Al2 Ge4'
_cell_volume   152.64
_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'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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  0.0  0.0  0.44  1.0
  Al  Al1  2  0.0  0.0  0.0  1.0
  Ge  Ge2  2  0.0  0.0  0.24  1.0
  Ge  Ge3  2  0.0  0.0  0.64  1.0

Sc Al Ge Ge