data_[Er24Tl9C3Se9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.7881]
_cell_length_b [7.7881]
_cell_length_c [23.1983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er8Tl3CSe3]
_chemical_formula_sum '[Er24 Tl9 C3 Se9]'
_cell_volume [1218.5583]
_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
[
  Er  Er0  18  0.0439  0.5219  0.7312  1.0
  Er  Er1  6  0.0000  0.0000  0.2606  1.0
  Tl  Tl2  9  0.0000  0.5000  0.5000  1.0
  Se  Se3  9  0.0000  0.5000  0.0000  1.0
  C  C4  3  0.0000  0.0000  0.0000  1.0
]