data_[Ca2Zn10Cd14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.3676]
_cell_length_b [9.8300]
_cell_length_c [9.9906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CaZn5Cd7]
_chemical_formula_sum '[Ca2 Zn10 Cd14]'
_cell_volume [527.1346]
_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  2  0.0000  0.0000  0.0063  1.0
  Zn  Zn1  8  0.2499  0.2403  0.2479  1.0
  Zn  Zn2  2  0.0000  0.5000  0.7223  1.0
  Cd  Cd3  4  0.0000  0.2942  0.5002  1.0
  Cd  Cd4  4  0.0000  0.3472  0.9990  1.0
  Cd  Cd5  2  0.0000  0.0000  0.3488  1.0
  Cd  Cd6  2  0.0000  0.0000  0.6525  1.0
  Cd  Cd7  2  0.0000  0.5000  0.2800  1.0
]