data_Sc3(NiGe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.53
_cell_length_b   7.53
_cell_length_c   7.53
_cell_angle_alpha   149.83
_cell_angle_beta   127.82
_cell_angle_gamma   61.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3(NiGe)4
_chemical_formula_sum   'Sc3 Ni4 Ge4'
_cell_volume   167.84
_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  Sc8  1  0.0  0.0  0.0  1.0
  Sc  Sc9  1  0.0  0.31  0.64  1.0
  Sc  Sc10  1  0.96  0.0  0.83  1.0
  Ni  Ni4  1  0.0  0.01  0.76  1.0
  Ni  Ni5  1  0.96  0.3  0.29  1.0
  Ni  Ni6  1  0.0  0.01  0.18  1.0
  Ni  Ni7  1  0.96  0.3  0.71  1.0
  Ge  Ge0  1  0.0  0.29  0.47  1.0
  Ge  Ge1  1  0.96  0.02  0.0  1.0
  Ge  Ge2  1  0.0  0.0  0.83  1.0
  Ge  Ge3  1  0.0  0.0  0.11  1.0

data_Sc3(NiGe)4
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   6.62
_cell_length_c   7.53
_cell_angle_alpha   116.09
_cell_angle_beta   105.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3(NiGe)4
_chemical_formula_sum   'Sc3 Ni4 Ge4'
_cell_volume   167.84
_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  0.0  0.0  1.0
  Sc  Sc1  1  0.13  0.17  0.13  1.0
  Sc  Sc2  1  0.36  0.67  0.67  1.0
  Ni  Ni3  1  0.24  0.25  0.25  1.0
  Ni  Ni4  1  0.25  0.59  0.55  1.0
  Ni  Ni5  1  0.67  0.01  0.97  1.0
  Ni  Ni6  1  0.82  0.83  0.83  1.0
  Ge  Ge7  1  0.17  0.17  0.17  1.0
  Ge  Ge8  1  0.53  0.82  0.82  1.0
  Ge  Ge9  1  0.89  0.89  0.89  1.0
  Ge  Ge10  1  0.96  0.02  0.98  1.0

Sc Sc Sc Ni Ni Ni Ni Ge Ge Ge Ge
Sc Sc Sc Ni Ni Ni Ni Ge Ge Ge Ge 0 8 - o o 0 4 - o o 1 6 - o o 1 7 o o o 2 9 + o o 3 9 o o o 4 8 o o o 4 10 + o o 4 7 + o o 5 10 o o o 5 7 o o o 