data_Sr2NbTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   6.8
_cell_length_c   6.8
_cell_angle_alpha   37.26
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NbTl
_chemical_formula_sum   'Sr2 Nb1 Tl1'
_cell_volume   139.74
_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  0.49  0.0  0.38  1.0
  Sr  Sr2  1  0.0  0.0  0.34  1.0
  Nb  Nb0  1  0.0  0.0  0.57  1.0
  Tl  Tl3  1  0.49  0.0  0.08  1.0

data_Sr2NbTl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.35
_cell_length_b   4.99
_cell_length_c   6.8
_cell_angle_alpha   90.0
_cell_angle_beta   108.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sr2NbTl
_chemical_formula_sum   'Sr2 Nb1 Tl1'
_cell_volume   139.74
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.62  0.5  0.62  1.0
  Sr  Sr1  1  0.66  0.0  0.66  1.0
  Nb  Nb2  1  0.43  0.0  0.43  1.0
  Tl  Tl3  1  0.92  0.5  0.92  1.0

Sr Sr Nb Tl
Sr Sr Nb Tl 0 1 o o o 0 3 o o o 1 2 o o o 