data_Sc3(CuGe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71
_cell_length_b   7.71
_cell_length_c   7.71
_cell_angle_alpha   149.71
_cell_angle_beta   129.78
_cell_angle_gamma   59.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3(CuGe)4
_chemical_formula_sum   'Sc3 Cu4 Ge4'
_cell_volume   176.52
_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  Sc8  1  0.0  0.27  0.7  1.0
  Sc  Sc9  1  0.02  0.0  0.99  1.0
  Sc  Sc10  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.0  1.0  0.99  1.0
  Cu  Cu1  1  0.02  0.27  0.3  1.0
  Cu  Cu2  1  0.0  1.0  0.39  1.0
  Cu  Cu3  1  0.02  0.27  0.7  1.0
  Ge  Ge4  1  0.0  0.0  0.89  1.0
  Ge  Ge5  1  0.0  0.0  0.48  1.0
  Ge  Ge6  1  0.0  0.27  0.69  1.0
  Ge  Ge7  1  0.02  0.0  0.0  1.0

data_Sc3(CuGe)4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   6.55
_cell_length_c   7.71
_cell_angle_alpha   115.11
_cell_angle_beta   105.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3(CuGe)4
_chemical_formula_sum   'Sc3 Cu4 Ge4'
_cell_volume   176.52
_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  0.0  0.0  1.0
  Sc  Sc1  1  0.0  0.99  0.98  1.0
  Sc  Sc2  1  0.73  0.42  0.42  1.0
  Cu  Cu3  1  0.0  0.39  0.39  1.0
  Cu  Cu4  1  0.0  0.99  0.99  1.0
  Cu  Cu5  1  0.73  0.03  0.01  1.0
  Cu  Cu6  1  0.73  0.43  0.41  1.0
  Ge  Ge7  1  0.0  0.48  0.48  1.0
  Ge  Ge8  1  0.0  0.89  0.89  1.0
  Ge  Ge9  1  0.73  0.42  0.42  1.0
  Ge  Ge10  1  1.0  1.0  0.98  1.0

Sc Sc Sc Cu Cu Cu Cu Ge Ge Ge Ge