data_[Ba8Sr2Tl4]
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 [P1]
_cell_length_a [8.4476]
_cell_length_b [9.1018]
_cell_length_c [10.7809]
_cell_angle_alpha [112.2078]
_cell_angle_beta [98.5898]
_cell_angle_gamma [106.8273]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ba4SrTl2]
_chemical_formula_sum '[Ba8 Sr2 Tl4]'
_cell_volume [702.5560]
_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  1  0.1555  0.8009  0.7588  1.0
  Ba  Ba1  1  0.1731  0.9085  0.3807  1.0
  Ba  Ba2  1  0.1779  0.4148  0.4127  1.0
  Ba  Ba3  1  0.1993  0.3375  0.7777  1.0
  Ba  Ba4  1  0.4259  0.2661  0.1013  1.0
  Ba  Ba5  1  0.5325  0.8463  0.1417  1.0
  Ba  Ba6  1  0.6857  0.8269  0.5210  1.0
  Ba  Ba7  1  0.8089  0.5555  0.9648  1.0
  Sr  Sr8  1  0.6780  0.3380  0.5273  1.0
  Sr  Sr9  1  0.8453  0.1158  0.9797  1.0
  Tl  Tl10  1  0.1826  0.5258  0.1351  1.0
  Tl  Tl11  1  0.5051  0.1079  0.7332  1.0
  Tl  Tl12  1  0.5392  0.6919  0.7659  1.0
  Tl  Tl13  1  0.8411  0.5139  0.3000  1.0
]