data_[Ca4U2Tl6O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  U  1.3800  1.7500  0.9913
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0445]
_cell_length_b [10.4628]
_cell_length_c [7.1922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5823]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2UTl3O6]
_chemical_formula_sum '[Ca4 U2 Tl6 O12]'
_cell_volume [435.9308]
_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
[
  Ca  Ca0  4  0.0000  0.3333  0.0000  1
  U  U1  2  0.0000  0.0000  0.0000  1
  Tl  Tl2  4  0.0000  0.1627  0.5000  1
  Tl  Tl3  2  0.0000  0.5000  0.5000  1
  O  O4  8  0.2031  0.1492  0.1577  1
  O  O5  4  0.2452  0.0000  0.8404  1
]