data_[Sr4Tl2Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.7974]
_cell_length_b [4.3163]
_cell_length_c [5.3658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8101]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sr2TlTe]
_chemical_formula_sum '[Sr4 Tl2 Te2]'
_cell_volume [291.1321]
_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
[
  Sr  Sr0  2  0.0037  0.0000  0.8786  1
  Sr  Sr1  2  0.2487  0.5000  0.3745  1
  Tl  Tl2  2  0.2701  0.0000  0.8903  1
  Te  Te3  2  0.4775  0.0000  0.3566  1
]