data_[Sc4Tl4C8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.6289]
_cell_length_b [9.6565]
_cell_length_c [7.0296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4950]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ScTl(CO3)2]
_chemical_formula_sum '[Sc4 Tl4 C8 O24]'
_cell_volume [555.4876]
_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
[
  Sc  Sc0  4  0.0000  0.3348  0.7500  1.0
  Tl  Tl1  4  0.0000  0.1044  0.2500  1.0
  C  C2  8  0.2039  0.3906  0.2050  1.0
  O  O3  8  0.0901  0.3306  0.0616  1.0
  O  O4  8  0.1594  0.1729  0.7099  1.0
  O  O5  8  0.1819  0.4871  0.7663  1.0
]