data_AlVAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   6.53
_cell_length_c   2.8
_cell_angle_alpha   79.49
_cell_angle_beta   75.96
_cell_angle_gamma   24.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVAs
_chemical_formula_sum   'Al1 V1 As1'
_cell_volume   48.62
_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  0.83  0.12  0.3  1.0
  V  V2  1  0.83  0.12  0.17  1.0
  As  As1  1  0.83  0.12  0.63  1.0

data_AlVAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.65
_cell_length_b   12.55
_cell_length_c   2.8
_cell_angle_alpha   90.0
_cell_angle_beta   130.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlVAs
_chemical_formula_sum   'Al2 V2 As2'
_cell_volume   97.24
_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  0.33  0.5  0.12  1.0
  V  V1  2  0.33  0.5  1.0  1.0
  As  As2  2  0.33  0.5  0.45  1.0

Al V As
Al V As 0 1 o o o 0 2 o o o 