data_[Sr4Zr2Tl2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8962]
_cell_length_b [6.0428]
_cell_length_c [10.2452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8887]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr2ZrTlO6]
_chemical_formula_sum '[Sr4 Zr2 Tl2 O12]'
_cell_volume [299.4241]
_cell_formula_units_Z [2]
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  4  0.2350  0.0468  0.2479  1.0
  Zr  Zr1  2  0.5000  0.0000  0.0000  1.0
  Tl  Tl2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1661  0.1979  0.9536  1.0
  O  O4  4  0.2503  0.7169  0.9460  1.0
  O  O5  4  0.3532  0.0357  0.7587  1.0
]