data_ScGeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   6.45
_cell_angle_alpha   102.46
_cell_angle_beta   102.46
_cell_angle_gamma   35.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGeCl2
_chemical_formula_sum   'Sc1 Ge1 Cl2'
_cell_volume   109.52
_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  0.89  0.0  0.24  1.0
  Ge  Ge2  1  0.97  0.0  0.45  1.0
  Cl  Cl0  1  0.74  0.0  0.55  1.0
  Cl  Cl1  1  0.98  0.0  0.19  1.0

data_ScGeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.51
_cell_length_c   6.45
_cell_angle_alpha   102.46
_cell_angle_beta   90.0
_cell_angle_gamma   107.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGeCl2
_chemical_formula_sum   'Sc1 Ge1 Cl2'
_cell_volume   109.52
_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  0.11  0.76  1.0
  Ge  Ge1  1  0.0  0.03  0.55  1.0
  Cl  Cl2  1  0.0  0.02  0.81  1.0
  Cl  Cl3  1  0.0  0.26  0.45  1.0

Sc Ge Cl Cl