data_[Sr12Tl4Zn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0007]
_cell_length_b [9.6512]
_cell_length_c [12.9426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6234]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr6Tl2Zn]
_chemical_formula_sum '[Sr12 Tl4 Zn2]'
_cell_volume [744.6151]
_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  0.1178  0.0340  0.2254  1
  Sr  Sr1  4  0.1840  0.6689  0.0674  1
  Sr  Sr2  4  0.4428  0.1777  0.0609  1
  Tl  Tl3  4  0.3187  0.1249  0.7539  1
  Zn  Zn4  2  0.5000  0.0000  0.5000  1
]