data_[Ca4Tl14Cd4]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3194]
_cell_length_b [10.2504]
_cell_length_c [6.7330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7749]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Tl7Cd2]
_chemical_formula_sum '[Ca4 Tl14 Cd4]'
_cell_volume [665.9001]
_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  0.2108  0.5000  1.0
  Tl  Tl1  8  0.1689  0.2690  0.1613  1.0
  Tl  Tl2  4  0.0790  0.5000  0.7989  1.0
  Tl  Tl3  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd4  4  0.2429  0.0000  0.5075  1.0
]