data_BaTl2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.02
_cell_length_b   10.02
_cell_length_c   10.02
_cell_angle_alpha   21.25
_cell_angle_beta   21.25
_cell_angle_gamma   21.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTl2Tc
_chemical_formula_sum   'Ba1 Tl2 Tc1'
_cell_volume   115.91
_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  0.0  0.14  1.0
  Tl  Tl2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.0  0.74  1.0
  Tc  Tc1  1  0.0  0.0  0.58  1.0

data_BaTl2Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.4
_cell_length_b   3.7
_cell_length_c   10.02
_cell_angle_alpha   90.0
_cell_angle_beta   102.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaTl2Tc
_chemical_formula_sum   'Ba2 Tl4 Tc2'
_cell_volume   231.83
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.86  1.0
  Tl  Tl1  2  0.0  0.0  0.26  1.0
  Tl  Tl2  2  0.0  0.0  1.0  1.0
  Tc  Tc3  2  0.0  0.0  0.42  1.0

Ba Tl Tl Tc
Ba Tl Tl Tc 0 1 o o o 2 3 o o o 