data_BaTcPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   3.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTcPb2
_chemical_formula_sum   'Ba1 Tc1 Pb2'
_cell_volume   118.19
_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  0.33  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.67  0.44  0.73  1.0
  Pb  Pb2  1  0.67  0.56  0.73  1.0

data_BaTcPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   113.85
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTcPb2
_chemical_formula_sum   'Ba1 Tc1 Pb2'
_cell_volume   118.19
_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  0.33  0.0  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.73  0.67  0.44  1.0
  Pb  Pb3  1  0.73  0.67  0.56  1.0

Ba Tc Pb Pb
Ba Tc Pb Pb 0 1 o o o 2 3 o o o 