data_AlCo2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   3.6
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCo2Ge
_chemical_formula_sum   'Al1 Co2 Ge1'
_cell_volume   49.66
_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
  Al  Al0  1  0.0  0.0  0.93  1.0
  Co  Co1  1  0.38  0.8  0.82  1.0
  Co  Co2  1  0.0  0.0  0.4  1.0
  Ge  Ge3  1  0.38  0.8  0.3  1.0

data_AlCo2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   3.6
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCo2Ge
_chemical_formula_sum   'Al1 Co2 Ge1'
_cell_volume   49.66
_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
  Al  Al0  1  0.0  0.0  0.93  1.0
  Co  Co1  1  0.0  0.0  0.4  1.0
  Co  Co2  1  0.38  0.8  0.82  1.0
  Ge  Ge3  1  0.38  0.8  0.3  1.0

Al Co Co Ge
Al Co Co Ge 0 1 o - o 2 3 o - o 