data_[Sr8Y4Tl4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2218]
_cell_length_b [18.5835]
_cell_length_c [13.1502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2YTlSe5]
_chemical_formula_sum '[Sr8 Y4 Tl4 Se20]'
_cell_volume [1031.7025]
_cell_formula_units_Z [4]
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  0.1183  0.6818  1.0
  Sr  Sr1  4  0.0000  0.1372  0.3151  1.0
  Y  Y2  4  0.0000  0.2109  0.0170  1.0
  Tl  Tl3  4  0.0000  0.4592  0.4458  1.0
  Se  Se4  4  0.0000  0.0514  0.0711  1.0
  Se  Se5  4  0.0000  0.2883  0.6647  1.0
  Se  Se6  4  0.0000  0.3123  0.3655  1.0
  Se  Se7  4  0.0000  0.3609  0.0018  1.0
  Se  Se8  4  0.0000  0.4918  0.7612  1.0
]