data_MnTl2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.43
_cell_angle_alpha   110.15
_cell_angle_beta   110.15
_cell_angle_gamma   34.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2Ge
_chemical_formula_sum   'Mn1 Tl2 Ge1'
_cell_volume   93.8
_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
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.37  0.0  0.84  1.0
  Tl  Tl3  1  0.64  0.0  0.23  1.0
  Ge  Ge0  1  0.5  0.0  0.53  1.0

data_MnTl2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   5.43
_cell_length_c   5.74
_cell_angle_alpha   110.15
_cell_angle_beta   107.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2Ge
_chemical_formula_sum   'Mn1 Tl2 Ge1'
_cell_volume   93.8
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.23  0.64  1.0
  Tl  Tl2  1  0.0  0.84  0.37  1.0
  Ge  Ge3  1  0.0  0.53  0.5  1.0

Mn Tl Tl Ge