data_Al2VSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   4.46
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VSe
_chemical_formula_sum   'Al2 V1 Se1'
_cell_volume   64.38
_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  0.56  0.23  0.0  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  V  V3  1  0.56  0.0  0.31  1.0
  Se  Se2  1  0.0  0.23  0.31  1.0

data_Al2VSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.46
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VSe
_chemical_formula_sum   'Al2 V1 Se1'
_cell_volume   64.38
_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
  Al  Al1  1  0.56  0.23  -0.0  1.0
  V  V2  1  0.56  0.0  0.31  1.0
  Se  Se3  1  0.0  0.23  0.31  1.0

Al Al V Se
Al Al V Se 0 1 o o o 0 1 + o o 0 2 o o o 0 3 + o o 1 2 - o o 1 3 o o o 2 3 o o o 2 3 + o o 