data_TiBi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   3.74
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   99.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBi2P
_chemical_formula_sum   'Ti1 Bi2 P1'
_cell_volume   92.36
_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  0.51  0.0  0.12  1.0
  Bi  Bi0  1  0.54  0.87  0.66  1.0
  Bi  Bi1  1  0.43  0.87  0.58  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_TiBi2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   3.96
_cell_length_c   6.31
_cell_angle_alpha   99.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBi2P
_chemical_formula_sum   'Ti1 Bi2 P1'
_cell_volume   92.36
_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  0.49  0.88  1.0
  Bi  Bi1  1  0.13  0.46  0.34  1.0
  Bi  Bi2  1  0.13  0.57  0.42  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ti Bi Bi P