data_[Sr16Ca4Tl4]
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/c]
_cell_length_a [10.4671]
_cell_length_b [15.4722]
_cell_length_c [7.5021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1592]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr4CaTl]
_chemical_formula_sum '[Sr16 Ca4 Tl4]'
_cell_volume [1147.6688]
_cell_formula_units_Z [4]
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  0.1052  0.1712  0.0528  1.0
  Sr  Sr1  8  0.2266  0.4054  0.3725  1.0
  Ca  Ca2  4  0.0000  0.3902  0.7500  1.0
  Tl  Tl3  4  0.0000  0.0015  0.7500  1.0
]