data_BeTlTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.92
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   104.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTlTc2
_chemical_formula_sum   'Be1 Tl1 Tc2'
_cell_volume   64.2
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.78  0.0  0.73  1.0
  Tc  Tc1  1  0.21  0.96  0.98  1.0
  Tc  Tc2  1  0.35  0.96  0.48  1.0

data_BeTlTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   3.92
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   104.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTlTc2
_chemical_formula_sum   'Be1 Tl1 Tc2'
_cell_volume   64.2
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.78  0.0  0.73  1.0
  Tc  Tc2  1  0.21  0.96  0.98  1.0
  Tc  Tc3  1  0.35  0.96  0.48  1.0

Be Tl Tc Tc
Be Tl Tc Tc 0 2 o - - 0 1 - o - 1 3 o - o 1 2 + - o 