data_BaNaTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   5.48
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   103.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNaTc2
_chemical_formula_sum   'Ba1 Na1 Tc2'
_cell_volume   83.79
_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  0.8  0.0  0.66  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.71  0.74  0.03  1.0
  Tc  Tc3  1  0.89  0.74  0.29  1.0

data_BaNaTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   5.47
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNaTc2
_chemical_formula_sum   'Ba1 Na1 Tc2'
_cell_volume   83.79
_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  0.2  0.34  0.0  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.11  0.71  0.26  1.0
  Tc  Tc3  1  0.29  0.97  0.26  1.0

Ba Na Tc Tc