data_Ba2VTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.86
_cell_length_b   8.86
_cell_length_c   8.86
_cell_angle_alpha   157.46
_cell_angle_beta   154.42
_cell_angle_gamma   34.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2VTc
_chemical_formula_sum   'Ba2 V1 Tc1'
_cell_volume   114.87
_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  0.96  0.64  1.0
  Ba  Ba1  1  0.73  0.0  0.83  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.0  0.46  1.0

data_Ba2VTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   3.92
_cell_length_c   8.86
_cell_angle_alpha   102.79
_cell_angle_beta   101.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2VTc
_chemical_formula_sum   'Ba2 V1 Tc1'
_cell_volume   114.87
_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  0.36  0.32  0.32  1.0
  Ba  Ba1  1  0.9  0.17  0.9  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.54  0.54  0.54  1.0

Ba Ba V Tc