data_Ba2TcSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   5.58
_cell_angle_alpha   112.14
_cell_angle_beta   112.14
_cell_angle_gamma   37.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TcSb
_chemical_formula_sum   'Ba2 Tc1 Sb1'
_cell_volume   133.8
_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  0.16  0.0  0.18  1.0
  Ba  Ba1  1  0.15  0.0  0.67  1.0
  Tc  Tc3  1  0.43  0.0  0.46  1.0
  Sb  Sb2  1  0.46  0.0  0.37  1.0

data_Ba2TcSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   5.58
_cell_length_c   6.53
_cell_angle_alpha   112.14
_cell_angle_beta   108.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TcSb
_chemical_formula_sum   'Ba2 Tc1 Sb1'
_cell_volume   133.8
_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  0.18  0.16  1.0
  Ba  Ba1  1  0.0  0.67  0.15  1.0
  Tc  Tc2  1  0.0  0.46  0.43  1.0
  Sb  Sb3  1  0.0  0.37  0.46  1.0

Ba Ba Tc Sb
Ba Ba Tc Sb 0 3 o o o 0 2 o o o 0 1 o o o 0 1 o o - 1 3 o o o 1 2 o o o 2 3 o o o 