data_ScCrGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   137.37
_cell_angle_beta   137.37
_cell_angle_gamma   61.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCrGe2
_chemical_formula_sum   'Sc1 Cr1 Ge2'
_cell_volume   68.22
_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
  Cr  Cr0  1  0.93  0.0  0.28  1.0
  Ge  Ge1  1  0.0  0.0  0.56  1.0
  Ge  Ge2  1  0.0  0.93  0.28  1.0

data_ScCrGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   5.32
_cell_angle_alpha   111.32
_cell_angle_beta   111.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCrGe2
_chemical_formula_sum   'Sc1 Cr1 Ge2'
_cell_volume   68.22
_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
  Cr  Cr1  1  0.72  0.0  0.65  1.0
  Ge  Ge2  1  0.44  0.0  0.44  1.0
  Ge  Ge3  1  0.65  0.93  0.65  1.0

Sc Cr Ge Ge