data_YAl2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   128.27
_cell_angle_beta   128.27
_cell_angle_gamma   76.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAl2V
_chemical_formula_sum   'Y1 Al2 V1'
_cell_volume   76.58
_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
  Y  Y3  1  0.0  0.0  0.96  1.0
  Al  Al0  1  0.2  0.0  0.98  1.0
  Al  Al1  1  0.0  0.2  0.98  1.0
  V  V2  1  0.0  0.0  0.0  1.0

data_YAl2V
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   128.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YAl2V
_chemical_formula_sum   'Y2 Al4 V2'
_cell_volume   153.16
_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
  Y  Y0  2  0.0  0.0  0.96  1.0
  Al  Al1  4  0.4  0.4  0.78  1.0
  V  V2  2  0.0  0.0  0.0  1.0

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