data_Tl2TcGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   4.96
_cell_angle_alpha   95.2
_cell_angle_beta   95.2
_cell_angle_gamma   33.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TcGe
_chemical_formula_sum   'Tl2 Tc1 Ge1'
_cell_volume   85.05
_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
  Tl  Tl2  1  0.18  0.0  0.66  1.0
  Tl  Tl3  1  0.99  0.0  0.27  1.0
  Tc  Tc1  1  0.09  0.0  0.47  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_Tl2TcGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.96
_cell_length_c   5.56
_cell_angle_alpha   95.2
_cell_angle_beta   106.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TcGe
_chemical_formula_sum   'Tl2 Tc1 Ge1'
_cell_volume   85.05
_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
  Tl  Tl0  1  0.0  0.27  0.99  1.0
  Tl  Tl1  1  0.0  0.66  0.18  1.0
  Tc  Tc2  1  0.0  0.47  0.09  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

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