data_Ba2AlV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   121.73
_cell_angle_beta   121.73
_cell_angle_gamma   87.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2AlV
_chemical_formula_sum   'Ba2 Al1 V1'
_cell_volume   123.86
_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
  Ba  Ba1  1  0.75  0.0  0.05  1.0
  Ba  Ba2  1  0.0  0.0  0.1  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.75  0.05  1.0

data_Ba2AlV
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.65
_cell_angle_alpha   119.14
_cell_angle_beta   119.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2AlV
_chemical_formula_sum   'Ba2 Al1 V1'
_cell_volume   123.86
_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
  Ba  Ba0  1  0.9  0.0  0.9  1.0
  Ba  Ba1  1  0.95  0.0  0.7  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.7  0.75  0.7  1.0

Ba Ba Al V