data_Sc5Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5Ge
_chemical_formula_sum   'Sc5 Ge1'
_cell_volume   154.56
_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  0.87  0.66  0.0  1.0
  Sc  Sc2  1  0.0  0.32  0.0  1.0
  Sc  Sc3  1  0.56  0.49  0.7  1.0
  Sc  Sc4  1  0.44  0.49  0.7  1.0
  Sc  Sc5  1  0.87  0.0  0.7  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_Sc5Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.4
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5Ge
_chemical_formula_sum   'Sc5 Ge1'
_cell_volume   154.56
_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  0.32  1.0
  Sc  Sc1  1  0.0  0.87  0.66  1.0
  Sc  Sc2  1  0.7  0.44  0.49  1.0
  Sc  Sc3  1  0.7  0.56  0.49  1.0
  Sc  Sc4  1  0.7  0.87  0.0  1.0
  Ge  Ge5  1  0.0  0.0  0.0  1.0

Sc Sc Sc Sc Sc Ge