data_[Ce2Sc8Tl14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2337]
_cell_length_b [5.6870]
_cell_length_c [10.9808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2630]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeSc4Tl7]
_chemical_formula_sum '[Ce2 Sc8 Tl14]'
_cell_volume [674.7806]
_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
[
  Ce  Ce0  2  0.0000  0.0000  0.0000  1
  Sc  Sc1  4  0.0839  0.5000  0.7906  1
  Sc  Sc2  4  0.2032  0.5000  0.3299  1
  Tl  Tl3  4  0.0796  0.0000  0.3415  1
  Tl  Tl4  4  0.1413  0.5000  0.5649  1
  Tl  Tl5  4  0.2112  0.0000  0.8759  1
  Tl  Tl6  2  0.0000  0.5000  0.0000  1
]