data_Tl2SbP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   5.4
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   92.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SbP
_chemical_formula_sum   'Tl2 Sb1 P1'
_cell_volume   106.73
_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  0.98  0.7  0.61  1.0
  Tl  Tl3  1  0.98  0.7  0.45  1.0
  Sb  Sb1  1  0.85  0.0  0.03  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_Tl2SbP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.4
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   92.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SbP
_chemical_formula_sum   'Tl2 Sb1 P1'
_cell_volume   106.73
_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  0.98  0.7  0.61  1.0
  Tl  Tl1  1  0.98  0.7  0.45  1.0
  Sb  Sb2  1  0.85  0.0  0.03  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Tl Tl Sb P
Tl Tl Sb P 0 1 o o o 2 3 + o o 