data_AlV2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.75
_cell_angle_alpha   101.57
_cell_angle_beta   101.57
_cell_angle_gamma   33.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV2Zn
_chemical_formula_sum   'Al1 V2 Zn1'
_cell_volume   56.61
_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  0.47  0.0  0.24  1.0
  V  V1  1  0.98  0.0  0.5  1.0
  V  V2  1  0.51  0.0  0.61  1.0
  Zn  Zn3  1  0.04  0.0  0.24  1.0

data_AlV2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.7
_cell_length_c   4.75
_cell_angle_alpha   101.57
_cell_angle_beta   90.0
_cell_angle_gamma   106.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV2Zn
_chemical_formula_sum   'Al1 V2 Zn1'
_cell_volume   56.61
_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  0.53  0.76  1.0
  V  V1  1  0.0  0.02  0.5  1.0
  V  V2  1  0.0  0.49  0.39  1.0
  Zn  Zn3  1  0.0  0.96  0.76  1.0

Al V V Zn
Al V V Zn 0 3 o o o 0 2 o o o 1 3 + o o 