data_Mn2TlGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   4.71
_cell_angle_alpha   101.39
_cell_angle_beta   101.39
_cell_angle_gamma   33.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2TlGe
_chemical_formula_sum   'Mn2 Tl1 Ge1'
_cell_volume   71.4
_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  0.1  0.0  0.54  1.0
  Mn  Mn2  1  0.19  0.0  0.11  1.0
  Tl  Tl3  1  0.54  0.0  0.21  1.0
  Ge  Ge0  1  0.9  0.0  0.68  1.0

data_Mn2TlGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.71
_cell_length_c   5.26
_cell_angle_alpha   101.39
_cell_angle_beta   106.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2TlGe
_chemical_formula_sum   'Mn2 Tl1 Ge1'
_cell_volume   71.4
_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  0.11  0.19  1.0
  Mn  Mn1  1  0.0  0.54  0.1  1.0
  Tl  Tl2  1  0.0  0.21  0.54  1.0
  Ge  Ge3  1  0.0  0.68  0.9  1.0

Mn Mn Tl Ge
Mn Mn Tl Ge 0 3 - o o 1 2 o o o 