data_MnTl2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   7.25
_cell_angle_alpha   100.73
_cell_angle_beta   100.73
_cell_angle_gamma   41.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2Bi
_chemical_formula_sum   'Mn1 Tl2 Bi1'
_cell_volume   114.63
_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  0.27  0.0  0.23  1.0
  Tl  Tl2  1  0.67  0.0  0.84  1.0
  Tl  Tl3  1  0.5  0.0  0.7  1.0
  Bi  Bi0  1  0.95  0.0  0.0  1.0

data_MnTl2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.92
_cell_length_c   7.25
_cell_angle_alpha   100.73
_cell_angle_beta   90.0
_cell_angle_gamma   110.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2Bi
_chemical_formula_sum   'Mn1 Tl2 Bi1'
_cell_volume   114.63
_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  0.73  0.77  1.0
  Tl  Tl1  1  0.0  0.33  0.16  1.0
  Tl  Tl2  1  0.0  0.5  0.3  1.0
  Bi  Bi3  1  0.0  0.05  1.0  1.0

Mn Tl Tl Bi