data_SrNbTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   6.49
_cell_angle_alpha   149.79
_cell_angle_beta   141.84
_cell_angle_gamma   49.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNbTl
_chemical_formula_sum   'Sr1 Nb1 Tl1'
_cell_volume   84.45
_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
  Sr  Sr1  1  0.0  0.0  0.92  1.0
  Nb  Nb0  1  0.0  0.0  0.43  1.0
  Tl  Tl2  1  0.0  0.0  0.43  1.0

data_SrNbTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.24
_cell_length_c   6.49
_cell_angle_alpha   109.08
_cell_angle_beta   105.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNbTl
_chemical_formula_sum   'Sr1 Nb1 Tl1'
_cell_volume   84.45
_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
  Sr  Sr0  1  0.08  0.08  0.08  1.0
  Nb  Nb1  1  0.57  0.57  0.57  1.0
  Tl  Tl2  1  0.57  0.57  0.57  1.0

Sr Nb Tl 0 0 o + + 0 2 o o o 0 2 o o + 0 1 o o o 0 1 o o + 1 2 o o o 