data_TlSbAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   6.05
_cell_angle_alpha   110.35
_cell_angle_beta   110.35
_cell_angle_gamma   37.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSbAs2
_chemical_formula_sum   'Tl1 Sb1 As2'
_cell_volume   110.03
_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  Tl3  1  0.05  0.0  0.38  1.0
  Sb  Sb2  1  0.11  0.0  0.19  1.0
  As  As0  1  0.18  0.0  0.61  1.0
  As  As1  1  0.39  0.0  0.27  1.0

data_TlSbAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   5.66
_cell_length_c   6.05
_cell_angle_alpha   110.35
_cell_angle_beta   90.0
_cell_angle_gamma   108.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSbAs2
_chemical_formula_sum   'Tl1 Sb1 As2'
_cell_volume   110.03
_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  0.0  0.95  0.62  1.0
  Sb  Sb1  1  0.0  0.89  0.81  1.0
  As  As2  1  0.0  0.61  0.73  1.0
  As  As3  1  0.0  0.82  0.39  1.0

Tl Sb As As