data_TlNiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   3.16
_cell_angle_alpha   100.7
_cell_angle_beta   100.7
_cell_angle_gamma   121.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlNiGe2
_chemical_formula_sum   'Tl1 Ni1 Ge2'
_cell_volume   77.94
_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  Tl3  1  0.73  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.76  0.56  0.46  1.0
  Ge  Ge1  1  0.76  0.44  0.46  1.0

data_TlNiGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.16
_cell_length_c   5.6
_cell_angle_alpha   113.72
_cell_angle_beta   100.7
_cell_angle_gamma   102.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlNiGe2
_chemical_formula_sum   'Tl1 Ni1 Ge2'
_cell_volume   77.94
_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  0.0  0.73  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.02  0.56  0.32  1.0
  Ge  Ge3  1  0.9  0.44  0.21  1.0

Tl Ni Ge Ge