data_MnTlBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.38
_cell_length_b   7.38
_cell_length_c   7.38
_cell_angle_alpha   152.26
_cell_angle_beta   142.37
_cell_angle_gamma   47.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTlBi2
_chemical_formula_sum   'Mn1 Tl1 Bi2'
_cell_volume   113.86
_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  Mn2  1  0.0  0.0  0.61  1.0
  Tl  Tl3  1  0.0  0.38  0.58  1.0
  Bi  Bi0  1  0.0  0.0  0.1  1.0
  Bi  Bi1  1  0.77  0.0  0.24  1.0

data_MnTlBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   4.76
_cell_length_c   7.38
_cell_angle_alpha   108.81
_cell_angle_beta   103.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTlBi2
_chemical_formula_sum   'Mn1 Tl1 Bi2'
_cell_volume   113.86
_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  0.39  0.39  0.39  1.0
  Tl  Tl1  1  0.42  0.8  0.8  1.0
  Bi  Bi2  1  0.53  0.76  0.53  1.0
  Bi  Bi3  1  0.9  0.9  0.9  1.0

Mn Tl Bi Bi