data_TiMn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   139.22
_cell_angle_beta   129.18
_cell_angle_gamma   67.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMn2Bi
_chemical_formula_sum   'Ti1 Mn2 Bi1'
_cell_volume   65.69
_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
  Ti  Ti3  1  0.0  0.0  0.12  1.0
  Mn  Mn1  1  0.0  0.0  0.11  1.0
  Mn  Mn2  1  0.77  0.0  0.1  1.0
  Bi  Bi0  1  0.0  0.18  0.15  1.0

data_TiMn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   4.37
_cell_length_c   5.09
_cell_angle_alpha   115.41
_cell_angle_beta   110.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMn2Bi
_chemical_formula_sum   'Ti1 Mn2 Bi1'
_cell_volume   65.69
_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
  Ti  Ti0  1  0.88  0.88  0.88  1.0
  Mn  Mn1  1  0.67  0.9  0.67  1.0
  Mn  Mn2  1  0.89  0.89  0.89  1.0
  Bi  Bi3  1  0.85  0.03  0.03  1.0

Ti Mn Mn Bi