data_AlNi2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   3.06
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   92.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi2Ge
_chemical_formula_sum   'Al1 Ni2 Ge1'
_cell_volume   49.89
_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
  Ni  Ni2  1  0.19  0.53  0.26  1.0
  Ni  Ni3  1  0.45  0.53  0.38  1.0
  Ge  Ge1  1  0.87  0.0  0.82  1.0

data_AlNi2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   3.06
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   92.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi2Ge
_chemical_formula_sum   'Al1 Ni2 Ge1'
_cell_volume   49.89
_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
  Ni  Ni1  1  0.19  0.53  0.26  1.0
  Ni  Ni2  1  0.45  0.53  0.38  1.0
  Ge  Ge3  1  0.87  0.0  0.82  1.0

Al Ni Ni Ge