data_AlVCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   6.9
_cell_angle_alpha   111.33
_cell_angle_beta   111.33
_cell_angle_gamma   34.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVCl2
_chemical_formula_sum   'Al1 V1 Cl2'
_cell_volume   91.43
_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  0.23  0.0  0.4  1.0
  V  V3  1  0.89  0.0  0.79  1.0
  Cl  Cl1  1  0.06  0.0  0.64  1.0
  Cl  Cl2  1  0.09  0.0  0.11  1.0

data_AlVCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   5.0
_cell_length_c   6.89
_cell_angle_alpha   68.79
_cell_angle_beta   77.4
_cell_angle_gamma   72.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVCl2
_chemical_formula_sum   'Al1 V1 Cl2'
_cell_volume   91.43
_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  0.83  0.4  1.0
  V  V1  1  0.0  0.1  0.79  1.0
  Cl  Cl2  1  0.0  0.43  0.64  1.0
  Cl  Cl3  1  0.0  0.98  0.11  1.0

Al V Cl Cl