data_[Tl4As4C8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  As  2.1800  1.1500  0.6600
  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 [10.4326]
_cell_length_b [8.8021]
_cell_length_c [8.7573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1920]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlAs(CO3)2]
_chemical_formula_sum '[Tl4 As4 C8 O24]'
_cell_volume [695.0841]
_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
[
  Tl  Tl0  4  0.0000  0.0277  0.7500  1.0
  As  As1  4  0.0000  0.4651  0.2500  1.0
  C  C2  8  0.2165  0.3912  0.7993  1.0
  O  O3  8  0.0772  0.3931  0.6531  1.0
  O  O4  8  0.1763  0.1719  0.1969  1.0
  O  O5  8  0.2155  0.4682  0.9282  1.0
]