data_[Ca4Dy8Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Dy  1.2200  1.7500  1.1310
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5054]
_cell_length_b [5.2851]
_cell_length_c [9.1041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0691]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca(DyTl)2]
_chemical_formula_sum '[Ca4 Dy8 Tl8]'
_cell_volume [583.6601]
_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  0.0702  0.0000  0.3581  1.0
  Dy  Dy1  4  0.0631  0.5000  0.8563  1.0
  Dy  Dy2  4  0.2464  0.5000  0.2446  1.0
  Tl  Tl3  4  0.1328  0.0000  0.0421  1.0
  Tl  Tl4  4  0.1378  0.5000  0.5470  1.0
]