data_BaTaV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   4.21
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   92.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTaV2
_chemical_formula_sum   'Ba1 Ta1 V2'
_cell_volume   91.72
_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
  Ta  Ta1  1  0.37  0.0  0.57  1.0
  V  V2  1  0.63  0.1  0.62  1.0
  V  V3  1  0.11  0.1  0.53  1.0

data_BaTaV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.21
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   92.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTaV2
_chemical_formula_sum   'Ba1 Ta1 V2'
_cell_volume   91.72
_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
  Ta  Ta1  1  0.37  0.0  0.57  1.0
  V  V2  1  0.11  0.1  0.53  1.0
  V  V3  1  0.63  0.1  0.62  1.0

Ba Ta V V