data_[Sr16Tl4Zn2]
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 [C2/m]
_cell_length_a [20.7103]
_cell_length_b [5.7709]
_cell_length_c [8.0445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8Tl2Zn]
_chemical_formula_sum '[Sr16 Tl4 Zn2]'
_cell_volume [911.1777]
_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  0.0300  0.0000  0.7913  1.0
  Sr  Sr1  4  0.0958  0.5000  0.4439  1.0
  Sr  Sr2  4  0.1645  0.5000  0.9607  1.0
  Sr  Sr3  4  0.2049  0.0000  0.3095  1.0
  Tl  Tl4  4  0.1824  0.0000  0.7061  1.0
  Zn  Zn5  2  0.0000  0.5000  0.0000  1.0
]