data_ScVGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   6.89
_cell_angle_alpha   29.91
_cell_angle_beta   29.91
_cell_angle_gamma   29.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScVGe2
_chemical_formula_sum   'Sc1 V1 Ge2'
_cell_volume   72.18
_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  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.87  1.0
  Ge  Ge0  1  0.0  0.0  0.77  1.0
  Ge  Ge1  1  0.0  0.0  0.97  1.0

data_ScVGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.16
_cell_length_b   3.56
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   107.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScVGe2
_chemical_formula_sum   'Sc2 V2 Ge4'
_cell_volume   144.35
_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  0.0  0.0  0.0  1.0
  V  V1  2  0.0  0.0  0.13  1.0
  Ge  Ge2  2  0.0  0.0  0.03  1.0
  Ge  Ge3  2  0.0  0.0  0.23  1.0

Sc V Ge Ge