data_AlVAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   3.36
_cell_angle_alpha   97.54
_cell_angle_beta   97.54
_cell_angle_gamma   104.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVAs2
_chemical_formula_sum   'Al1 V1 As2'
_cell_volume   65.16
_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  0.0  1.0
  V  V3  1  0.77  0.0  0.0  1.0
  As  As1  1  0.02  0.21  0.64  1.0
  As  As2  1  0.02  0.79  0.64  1.0

data_AlVAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   104.7
_cell_angle_beta   97.54
_cell_angle_gamma   97.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVAs2
_chemical_formula_sum   'Al1 V1 As2'
_cell_volume   65.16
_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  0.0  1.0
  V  V1  1  0.0  0.77  0.0  1.0
  As  As2  1  0.64  0.02  0.21  1.0
  As  As3  1  0.64  0.02  0.79  1.0

Al V As As