data_[Zr14Tl6Cd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [10.8733]
_cell_length_b [10.4385]
_cell_length_c [5.3578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4438]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr7Tl3Cd]
_chemical_formula_sum '[Zr14 Tl6 Cd2]'
_cell_volume [539.6777]
_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
[
  Zr  Zr0  8  0.1948  0.2169  0.6970  1
  Zr  Zr1  4  0.1976  0.0000  0.1676  1
  Zr  Zr2  2  0.0000  0.5000  0.0000  1
  Tl  Tl3  4  0.0000  0.2236  0.0000  1
  Tl  Tl4  2  0.0000  0.0000  0.5000  1
  Cd  Cd5  2  0.0000  0.5000  0.5000  1
]