data_BaLaV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   3.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaV2
_chemical_formula_sum   'Ba1 La1 V2'
_cell_volume   98.71
_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  0.0  1.0
  La  La1  1  0.18  0.0  0.0  1.0
  V  V2  1  0.59  0.55  0.58  1.0
  V  V3  1  0.59  0.45  0.58  1.0

data_BaLaV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   114.11
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaV2
_chemical_formula_sum   'Ba1 La1 V2'
_cell_volume   98.71
_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  0.0  1.0
  La  La1  1  0.0  0.18  0.0  1.0
  V  V2  1  0.58  0.59  0.45  1.0
  V  V3  1  0.58  0.59  0.55  1.0

Ba La V V