data_Ba2TcBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   8.77
_cell_angle_alpha   98.38
_cell_angle_beta   98.38
_cell_angle_gamma   43.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TcBi
_chemical_formula_sum   'Ba2 Tc1 Bi1'
_cell_volume   150.71
_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  0.62  1.0
  Ba  Ba1  1  0.65  0.0  0.04  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.99  0.0  0.33  1.0

data_Ba2TcBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   5.03
_cell_length_c   8.77
_cell_angle_alpha   98.38
_cell_angle_beta   90.0
_cell_angle_gamma   111.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TcBi
_chemical_formula_sum   'Ba2 Tc1 Bi1'
_cell_volume   150.71
_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  0.35  0.96  1.0
  Ba  Ba1  1  0.0  0.67  0.38  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.01  0.67  1.0

Ba Ba Tc Bi
Ba Ba Tc Bi 0 3 - o o 1 2 + o o 1 3 o o o 2 3 - o o 