data_Nb2TlGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   131.85
_cell_angle_beta   131.85
_cell_angle_gamma   70.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TlGe
_chemical_formula_sum   'Nb2 Tl1 Ge1'
_cell_volume   75.73
_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
  Nb  Nb1  1  0.11  0.0  0.12  1.0
  Nb  Nb2  1  0.0  0.11  0.12  1.0
  Tl  Tl3  1  0.0  0.0  0.23  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_Nb2TlGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   125.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2TlGe
_chemical_formula_sum   'Nb4 Tl2 Ge2'
_cell_volume   151.47
_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
  Nb  Nb0  4  0.44  0.44  0.0  1.0
  Tl  Tl1  2  0.0  0.0  0.23  1.0
  Ge  Ge2  2  0.0  0.0  0.0  1.0

Nb Nb Tl Ge