data_ScV2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   4.33
_cell_angle_alpha   114.83
_cell_angle_beta   114.83
_cell_angle_gamma   41.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScV2Ge
_chemical_formula_sum   'Sc1 V2 Ge1'
_cell_volume   63.93
_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  Sc1  1  0.94  0.0  0.94  1.0
  V  V2  1  0.11  0.0  0.05  1.0
  V  V3  1  0.45  0.0  0.94  1.0
  Ge  Ge0  1  0.66  0.0  0.88  1.0

data_ScV2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.33
_cell_length_c   5.01
_cell_angle_alpha   114.83
_cell_angle_beta   110.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScV2Ge
_chemical_formula_sum   'Sc1 V2 Ge1'
_cell_volume   63.93
_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  0.94  0.94  1.0
  V  V1  1  0.0  0.05  0.11  1.0
  V  V2  1  0.0  0.94  0.45  1.0
  Ge  Ge3  1  0.0  0.88  0.66  1.0

Sc V V Ge