data_[Ca8Tl4Co4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3601]
_cell_length_b [13.3691]
_cell_length_c [10.4829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ca2TlCoO5]
_chemical_formula_sum '[Ca8 Tl4 Co4 O20]'
_cell_volume [470.9118]
_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
[
  Ca  Ca0  4  0.0000  0.0932  0.6787  1
  Ca  Ca1  4  0.0000  0.1435  0.3128  1
  Tl  Tl2  4  0.0000  0.2094  0.0277  1
  Co  Co3  4  0.0000  0.4771  0.4425  1
  O  O4  4  0.0000  0.0401  0.0337  1
  O  O5  4  0.0000  0.2704  0.6782  1
  O  O6  4  0.0000  0.3372  0.3866  1
  O  O7  4  0.0000  0.3785  0.9907  1
  O  O8  4  0.0000  0.4865  0.7730  1
]