data_[Ba14Sr2Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0687]
_cell_length_b [6.1409]
_cell_length_c [10.1123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2145]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba7SrTl4]
_chemical_formula_sum '[Ba14 Sr2 Tl8]'
_cell_volume [1119.0089]
_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
[
  Ba  Ba0  4  0.0557  0.5000  0.2587  1
  Ba  Ba1  4  0.1716  0.5000  0.9315  1
  Ba  Ba2  4  0.2249  0.0000  0.6293  1
  Ba  Ba3  2  0.0000  0.0000  0.5000  1
  Sr  Sr4  2  0.0000  0.0000  0.0000  1
  Tl  Tl5  4  0.1161  0.5000  0.5947  1
  Tl  Tl6  4  0.1626  0.0000  0.2331  1
]