data_Be2TlTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   138.69
_cell_angle_beta   127.37
_cell_angle_gamma   69.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TlTc
_chemical_formula_sum   'Be2 Tl1 Tc1'
_cell_volume   56.86
_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  0.69  0.0  0.83  1.0
  Be  Be1  1  0.0  0.13  0.12  1.0
  Tl  Tl3  1  0.0  0.0  0.95  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0

data_Be2TlTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.25
_cell_length_c   4.8
_cell_angle_alpha   116.32
_cell_angle_beta   110.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TlTc
_chemical_formula_sum   'Be2 Tl1 Tc1'
_cell_volume   56.86
_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  0.83  0.14  1.0
  Be  Be1  1  0.87  0.99  0.99  1.0
  Tl  Tl2  1  0.0  0.95  0.95  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

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