data_Sr2YTlNi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   12.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2YTlNi2O7
_chemical_formula_sum   'Sr2 Y1 Tl1 Ni2 O7'
_cell_volume   179.45
_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  0.0  0.0  0.52  1.0
  Sr  Sr1  1  0.0  0.0  0.54  1.0
  Y  Y2  1  0.0  0.0  0.03  1.0
  Tl  Tl3  1  0.93  0.93  0.0  1.0
  Ni  Ni4  1  0.93  0.93  0.83  1.0
  Ni  Ni5  1  0.93  0.93  0.23  1.0
  O  O6  1  0.0  0.93  0.48  1.0
  O  O7  1  0.93  0.0  0.48  1.0
  O  O8  1  0.0  0.93  0.58  1.0
  O  O9  1  0.93  0.0  0.58  1.0
  O  O10  1  0.93  0.93  0.88  1.0
  O  O11  1  0.93  0.93  0.17  1.0
  O  O12  1  0.0  0.0  0.0  1.0

data_Sr2YTlNi2O7
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   12.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2YTlNi2O7
_chemical_formula_sum   'Sr4 Y2 Tl2 Ni4 O14'
_cell_volume   358.9
_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  0.52  1.0
  Sr  Sr1  2  0.0  0.0  0.54  1.0
  Y  Y2  2  0.0  0.0  0.03  1.0
  Tl  Tl3  2  0.43  0.5  0.0  1.0
  Ni  Ni4  2  0.43  0.5  0.23  1.0
  Ni  Ni5  2  0.43  0.5  0.83  1.0
  O  O6  4  0.46  0.46  0.48  1.0
  O  O7  4  0.46  0.46  0.58  1.0
  O  O8  2  0.0  0.0  0.0  1.0
  O  O9  2  0.43  0.5  0.17  1.0
  O  O10  2  0.43  0.5  0.88  1.0

Sr Sr Y Tl Ni Ni O O O O O O O