data_[Sr8Tm4Al4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0944]
_cell_length_b [18.5420]
_cell_length_c [12.9877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2TmAlSe5]
_chemical_formula_sum '[Sr8 Tm4 Al4 Se20]'
_cell_volume [986.0081]
_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  0.1184  0.6819  1.0
  Sr  Sr1  4  0.0000  0.1248  0.3253  1.0
  Tm  Tm2  4  0.0000  0.2071  0.0281  1.0
  Al  Al3  4  0.0000  0.4397  0.4296  1.0
  Se  Se4  4  0.0000  0.0461  0.0353  1.0
  Se  Se5  4  0.0000  0.2936  0.6742  1.0
  Se  Se6  4  0.0000  0.3144  0.3725  1.0
  Se  Se7  4  0.0000  0.3543  0.0061  1.0
  Se  Se8  4  0.0000  0.4994  0.7708  1.0
]