data_[Sr16Ca2Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6292]
_cell_length_b [15.8714]
_cell_length_c [6.5558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8950]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8CaTl2]
_chemical_formula_sum '[Sr16 Ca2 Tl4]'
_cell_volume [1068.8101]
_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  8  0.1972  0.1316  0.0857  1.0
  Sr  Sr1  4  0.0000  0.2512  0.5000  1.0
  Sr  Sr2  4  0.1116  0.5000  0.2974  1.0
  Ca  Ca3  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl4  4  0.0000  0.3188  0.0000  1.0
]