data_[Ca4Ac20Tl8Co4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ac  1.1000  1.9500  1.2600
  Tl  1.6200  1.9000  1.3325
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0204]
_cell_length_b [22.3267]
_cell_length_c [14.7911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CaAc5Tl2Co]
_chemical_formula_sum '[Ca4 Ac20 Tl8 Co4]'
_cell_volume [1327.6742]
_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  0.4837  0.4059  1
  Ac  Ac1  4  0.0000  0.1194  0.0580  1
  Ac  Ac2  4  0.0000  0.2568  0.6727  1
  Ac  Ac3  4  0.0000  0.2734  0.3955  1
  Ac  Ac4  4  0.0000  0.3635  0.0103  1
  Ac  Ac5  4  0.0000  0.4955  0.6748  1
  Tl  Tl6  4  0.0000  0.1104  0.7680  1
  Tl  Tl7  4  0.0000  0.1129  0.3061  1
  Co  Co8  4  0.0000  0.2407  0.0328  1
]