data_AlNiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   151.4
_cell_angle_beta   151.4
_cell_angle_gamma   40.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNiGe
_chemical_formula_sum   'Al1 Ni1 Ge1'
_cell_volume   43.36
_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  0.5  1.0
  Ni  Ni2  1  0.0  0.0  0.67  1.0
  Ge  Ge1  1  0.0  0.0  0.36  1.0

data_AlNiGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   110.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlNiGe
_chemical_formula_sum   'Al2 Ni2 Ge2'
_cell_volume   86.71
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.5  1.0
  Ni  Ni1  2  0.0  0.0  0.33  1.0
  Ge  Ge2  2  0.0  0.0  0.64  1.0

Al Ni Ge
Al Ni Ge 0 2 o o o 0 1 o o o 