data_Ti2CrBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   140.8
_cell_angle_beta   127.55
_cell_angle_gamma   67.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CrBi
_chemical_formula_sum   'Ti2 Cr1 Bi1'
_cell_volume   68.6
_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  Ti2  1  0.0  0.29  0.38  1.0
  Ti  Ti3  1  0.74  0.0  0.93  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.31  1.0

data_Ti2CrBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.58
_cell_length_c   5.18
_cell_angle_alpha   116.23
_cell_angle_beta   109.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CrBi
_chemical_formula_sum   'Ti2 Cr1 Bi1'
_cell_volume   68.6
_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  0.0  0.93  0.19  1.0
  Ti  Ti1  1  0.71  0.09  0.09  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.31  0.31  1.0

Ti Ti Cr Bi