data_[Sr4Tl6Sb2Se12]
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
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6597]
_cell_length_b [13.1160]
_cell_length_c [7.7374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1355]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Tl3SbSe6]
_chemical_formula_sum '[Sr4 Tl6 Sb2 Se12]'
_cell_volume [734.3872]
_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  4  0.0000  0.3357  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1769  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Sb  Sb3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2219  0.1504  0.2144  1.0
  Se  Se5  4  0.2199  0.0000  0.7688  1.0
]