data_[Sr9Li3Tm9Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2907]
_cell_length_b [8.2907]
_cell_length_c [21.1334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr3LiTm3Se8]
_chemical_formula_sum '[Sr9 Li3 Tm9 Se24]'
_cell_volume [1258.0036]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.0000  1.0
  Li  Li1  3  -0.0000  -0.0000  0.5000  1.0
  Tm  Tm2  9  0.0000  0.5000  0.5000  1.0
  Se  Se3  18  0.0053  0.5026  0.7597  1.0
  Se  Se4  6  0.0000  0.0000  0.2422  1.0
]