data_AlVZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   154.93
_cell_angle_beta   154.93
_cell_angle_gamma   35.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVZn
_chemical_formula_sum   'Al1 V1 Zn1'
_cell_volume   43.18
_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  0.79  1.0
  V  V1  1  0.0  0.0  0.97  1.0
  Zn  Zn2  1  0.0  0.0  0.92  1.0

data_AlVZn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   107.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlVZn
_chemical_formula_sum   'Al2 V2 Zn2'
_cell_volume   86.36
_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  0.29  0.5  0.79  1.0
  V  V1  2  0.47  0.5  0.97  1.0
  Zn  Zn2  2  0.42  0.5  0.92  1.0

Al V Zn
Al V Zn 0 2 o o o 1 2 o o o 