data_YTlGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTlGe2
_chemical_formula_sum   'Y1 Tl1 Ge2'
_cell_volume   92.23
_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
  Y  Y3  1  0.0  0.0  0.49  1.0
  Tl  Tl2  1  0.51  0.0  0.66  1.0
  Ge  Ge0  1  0.51  0.0  0.7  1.0
  Ge  Ge1  1  0.0  0.0  0.46  1.0

data_YTlGe2
_symmetry_space_group_name_H-M   P2
_cell_length_a   3.65
_cell_length_b   6.92
_cell_length_c   3.65
_cell_angle_alpha   90.0
_cell_angle_beta   93.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   YTlGe2
_chemical_formula_sum   'Y1 Tl1 Ge2'
_cell_volume   92.23
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Y  Y0  1  0.0  0.51  0.0  1.0
  Tl  Tl1  1  0.5  0.34  0.0  1.0
  Ge  Ge2  1  0.0  0.54  0.0  1.0
  Ge  Ge3  1  0.5  0.3  0.0  1.0

Y Tl Ge Ge