data_MgTlGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   3.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlGe2
_chemical_formula_sum   'Mg1 Tl1 Ge2'
_cell_volume   89.72
_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
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.09  0.0  0.0  1.0
  Ge  Ge0  1  0.55  0.8  0.65  1.0
  Ge  Ge1  1  0.55  0.2  0.65  1.0

data_MgTlGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   109.73
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlGe2
_chemical_formula_sum   'Mg1 Tl1 Ge2'
_cell_volume   89.72
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.09  0.0  1.0
  Ge  Ge2  1  0.65  0.55  0.2  1.0
  Ge  Ge3  1  0.65  0.55  0.8  1.0

Mg Tl Ge Ge