data_[Ba4Sr2Ca2Tl4]
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
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.5480]
_cell_length_b [10.6754]
_cell_length_c [8.3334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Ba2SrCaTl2]
_chemical_formula_sum '[Ba4 Sr2 Ca2 Tl4]'
_cell_volume [493.5591]
_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  2  0.0000  0.1765  0.3496  1.0
  Ba  Ba1  2  0.5000  0.0752  0.0270  1.0
  Sr  Sr2  2  0.0000  0.4437  0.9801  1.0
  Ca  Ca3  2  0.5000  0.3207  0.6606  1.0
  Tl  Tl4  2  0.0000  0.1579  0.7714  1.0
  Tl  Tl5  2  0.5000  0.3801  0.2569  1.0
]