data_AlCo2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   4.72
_cell_angle_alpha   100.8
_cell_angle_beta   100.8
_cell_angle_gamma   39.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCo2Ge
_chemical_formula_sum   'Al1 Co2 Ge1'
_cell_volume   49.82
_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  0.0  1.0
  Co  Co1  1  0.24  0.0  0.45  1.0
  Co  Co2  1  0.6  0.0  0.18  1.0
  Ge  Ge3  1  0.42  0.0  0.31  1.0

data_AlCo2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.13
_cell_length_c   4.72
_cell_angle_alpha   100.8
_cell_angle_beta   90.0
_cell_angle_gamma   109.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCo2Ge
_chemical_formula_sum   'Al1 Co2 Ge1'
_cell_volume   49.82
_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  0.0  1.0
  Co  Co1  1  0.0  0.4  0.82  1.0
  Co  Co2  1  0.0  0.76  0.55  1.0
  Ge  Ge3  1  0.0  0.58  0.69  1.0

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