data_Ti2BiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   3.35
_cell_angle_alpha   99.82
_cell_angle_beta   99.82
_cell_angle_gamma   99.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2BiAs
_chemical_formula_sum   'Ti2 Bi1 As1'
_cell_volume   78.57
_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  0.15  0.1  0.62  1.0
  Ti  Ti3  1  0.15  0.9  0.62  1.0
  Bi  Bi1  1  0.2  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Ti2BiAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   99.9
_cell_angle_beta   99.82
_cell_angle_gamma   99.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2BiAs
_chemical_formula_sum   'Ti2 Bi1 As1'
_cell_volume   78.57
_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  0.62  0.15  0.1  1.0
  Ti  Ti1  1  0.62  0.15  0.9  1.0
  Bi  Bi2  1  -0.0  0.2  0.0  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Ti Ti Bi As