data_SrTl2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   6.91
_cell_angle_alpha   36.65
_cell_angle_beta   36.65
_cell_angle_gamma   36.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTl2Ni
_chemical_formula_sum   'Sr1 Tl2 Ni1'
_cell_volume   105.33
_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  0.66  1.0
  Tl  Tl2  1  0.0  0.0  0.43  1.0
  Tl  Tl3  1  0.0  0.0  0.89  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0

data_SrTl2Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.53
_cell_length_b   4.35
_cell_length_c   6.91
_cell_angle_alpha   90.0
_cell_angle_beta   111.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrTl2Ni
_chemical_formula_sum   'Sr2 Tl4 Ni2'
_cell_volume   210.66
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.34  1.0
  Tl  Tl1  2  0.0  0.0  0.11  1.0
  Tl  Tl2  2  0.0  0.0  0.57  1.0
  Ni  Ni3  2  0.0  0.0  0.0  1.0

Sr Tl Tl Ni