data_BaNb2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   4.25
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   101.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNb2Tc
_chemical_formula_sum   'Ba1 Nb2 Tc1'
_cell_volume   99.6
_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  0.7  0.12  0.43  1.0
  Nb  Nb1  1  0.07  0.0  0.73  1.0
  Nb  Nb2  1  0.94  0.12  0.97  1.0
  Tc  Tc3  1  0.87  0.0  0.95  1.0

data_BaNb2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.25
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   101.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNb2Tc
_chemical_formula_sum   'Ba1 Nb2 Tc1'
_cell_volume   99.6
_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  0.7  0.12  0.43  1.0
  Nb  Nb1  1  0.07  0.0  0.73  1.0
  Nb  Nb2  1  0.94  0.12  0.97  1.0
  Tc  Tc3  1  0.87  0.0  0.95  1.0

Ba Nb Nb Tc