data_Tl2BiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   3.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2BiAs
_chemical_formula_sum   'Tl2 Bi1 As1'
_cell_volume   115.41
_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
  Tl  Tl2  1  0.63  0.37  0.68  1.0
  Tl  Tl3  1  0.63  0.63  0.68  1.0
  Bi  Bi1  1  0.27  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Tl2BiAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   116.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2BiAs
_chemical_formula_sum   'Tl2 Bi1 As1'
_cell_volume   115.41
_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
  Tl  Tl0  1  0.68  0.63  0.37  1.0
  Tl  Tl1  1  0.68  0.63  0.63  1.0
  Bi  Bi2  1  0.0  0.27  0.0  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Tl Tl Bi As