data_Ba3V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.06
_cell_length_b   19.4
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3V
_chemical_formula_sum   'Ba18 V6'
_cell_volume   1084.02
_cell_formula_units_Z   6
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  0.02  0.18  0.16  1.0
  Ba  Ba1  1  0.02  0.22  0.16  1.0
  Ba  Ba2  1  0.02  0.7  0.39  1.0
  Ba  Ba3  1  0.01  0.0  0.54  1.0
  Ba  Ba4  1  0.01  0.89  0.77  1.0
  Ba  Ba5  1  0.01  0.52  0.77  1.0
  Ba  Ba6  1  0.03  0.0  0.72  1.0
  Ba  Ba7  1  0.03  0.95  0.3  1.0
  Ba  Ba8  1  0.03  0.45  0.3  1.0
  Ba  Ba9  1  0.04  0.18  0.16  1.0
  Ba  Ba10  1  0.04  0.22  0.16  1.0
  Ba  Ba11  1  0.04  0.7  0.39  1.0
  Ba  Ba12  1  0.05  0.0  0.54  1.0
  Ba  Ba13  1  0.05  0.89  0.77  1.0
  Ba  Ba14  1  0.05  0.52  0.77  1.0
  Ba  Ba15  1  0.0  0.7  0.21  1.0
  Ba  Ba16  1  0.0  0.25  0.63  1.0
  Ba  Ba17  1  0.0  0.15  0.63  1.0
  V  V18  1  0.03  0.7  0.74  1.0
  V  V19  1  0.03  0.22  0.64  1.0
  V  V20  1  0.03  0.18  0.64  1.0
  V  V21  1  0.0  0.0  0.19  1.0
  V  V22  1  0.0  0.92  0.29  1.0
  V  V23  1  0.0  0.48  0.29  1.0

data_Ba3V
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.93
_cell_length_b   8.06
_cell_length_c   19.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3V
_chemical_formula_sum   'Ba18 V6'
_cell_volume   1084.02
_cell_formula_units_Z   6
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  0.16  0.02  0.18  1.0
  Ba  Ba1  1  0.16  0.02  0.22  1.0
  Ba  Ba2  1  0.16  0.04  0.18  1.0
  Ba  Ba3  1  0.16  0.04  0.22  1.0
  Ba  Ba4  1  0.21  0.0  0.7  1.0
  Ba  Ba5  1  0.3  0.03  0.45  1.0
  Ba  Ba6  1  0.3  0.03  0.95  1.0
  Ba  Ba7  1  0.39  0.02  0.7  1.0
  Ba  Ba8  1  0.39  0.04  0.7  1.0
  Ba  Ba9  1  0.54  0.01  0.0  1.0
  Ba  Ba10  1  0.54  0.05  0.0  1.0
  Ba  Ba11  1  0.63  0.0  0.15  1.0
  Ba  Ba12  1  0.63  0.0  0.25  1.0
  Ba  Ba13  1  0.72  0.03  0.0  1.0
  Ba  Ba14  1  0.77  0.01  0.52  1.0
  Ba  Ba15  1  0.77  0.01  0.89  1.0
  Ba  Ba16  1  0.77  0.05  0.52  1.0
  Ba  Ba17  1  0.77  0.05  0.89  1.0
  V  V18  1  0.19  0.0  0.0  1.0
  V  V19  1  0.29  0.0  0.48  1.0
  V  V20  1  0.29  0.0  0.92  1.0
  V  V21  1  0.64  0.03  0.18  1.0
  V  V22  1  0.64  0.03  0.22  1.0
  V  V23  1  0.74  0.03  0.7  1.0

Ba Ba Ba Ba Ba Ba Ba Ba Ba Ba Ba Ba Ba Ba Ba Ba Ba Ba V V V V V V