data_[Na4Sr4Tl4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.7284]
_cell_length_b [8.9754]
_cell_length_c [12.5666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [NaSrTlCl4]
_chemical_formula_sum '[Na4 Sr4 Tl4 Cl16]'
_cell_volume [984.4768]
_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
[
  Na  Na0  4  0.2500  0.2500  0.7500  1.0
  Sr  Sr1  4  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  4  0.0000  0.2500  0.1400  1.0
  Cl  Cl3  8  0.0000  0.0383  0.7295  1.0
  Cl  Cl4  8  0.2179  0.2500  0.5110  1.0
]