data_TiMnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56
_cell_length_b   7.56
_cell_length_c   7.56
_cell_angle_alpha   30.2
_cell_angle_beta   30.2
_cell_angle_gamma   30.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMnBi2
_chemical_formula_sum   'Ti1 Mn1 Bi2'
_cell_volume   96.88
_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  0.0  1.0
  Mn  Mn2  1  0.0  0.0  0.82  1.0
  Bi  Bi0  1  0.0  0.0  0.38  1.0
  Bi  Bi1  1  0.0  0.0  0.26  1.0

data_TiMnBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.82
_cell_length_b   3.94
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   107.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiMnBi2
_chemical_formula_sum   'Ti2 Mn2 Bi4'
_cell_volume   193.75
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Mn  Mn1  2  0.0  0.0  0.18  1.0
  Bi  Bi2  2  0.0  0.0  0.62  1.0
  Bi  Bi3  2  0.0  0.0  0.74  1.0

Ti Mn Bi Bi
Ti Mn Bi Bi 0 1 o o - 2 3 o o o 