data_ScCuGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   136.53
_cell_angle_beta   136.53
_cell_angle_gamma   63.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCuGe2
_chemical_formula_sum   'Sc1 Cu1 Ge2'
_cell_volume   66.71
_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  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.94  0.0  0.23  1.0
  Ge  Ge1  1  0.0  0.0  0.45  1.0
  Ge  Ge2  1  0.0  0.94  0.23  1.0

data_ScCuGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   5.23
_cell_angle_alpha   111.73
_cell_angle_beta   111.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCuGe2
_chemical_formula_sum   'Sc1 Cu1 Ge2'
_cell_volume   66.71
_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
  Cu  Cu1  1  0.23  0.29  0.29  1.0
  Ge  Ge2  1  0.29  0.23  0.29  1.0
  Ge  Ge3  1  0.45  0.45  0.45  1.0

Sc Cu Ge Ge