data_BaY2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.44
_cell_length_b   11.44
_cell_length_c   11.44
_cell_angle_alpha   17.78
_cell_angle_beta   17.78
_cell_angle_gamma   17.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaY2V
_chemical_formula_sum   'Ba1 Y2 V1'
_cell_volume   121.78
_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  0.0  0.0  0.88  1.0
  Y  Y2  1  0.0  0.0  0.05  1.0
  Y  Y3  1  0.0  0.0  0.71  1.0
  V  V1  1  0.0  0.0  0.0  1.0

data_BaY2V
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.12
_cell_length_b   3.53
_cell_length_c   11.44
_cell_angle_alpha   90.0
_cell_angle_beta   100.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaY2V
_chemical_formula_sum   'Ba2 Y4 V2'
_cell_volume   243.55
_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
  Ba  Ba0  2  -0.0  0.0  0.12  1.0
  Y  Y1  2  -0.0  0.0  0.95  1.0
  Y  Y2  2  0.0  0.0  0.29  1.0
  V  V3  2  0.0  0.0  0.0  1.0

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