data_[Ca9Zn24Cd3]
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 [R3m]
_cell_length_a [5.4513]
_cell_length_b [5.4513]
_cell_length_c [28.0090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ca3Zn8Cd]
_chemical_formula_sum '[Ca9 Zn24 Cd3]'
_cell_volume [720.8118]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0039  1.0
  Ca  Ca1  3  0.0000  0.0000  0.4972  1.0
  Ca  Ca2  3  0.0000  0.0000  0.6238  1.0
  Zn  Zn3  9  0.0005  0.5002  0.0618  1.0
  Zn  Zn4  9  0.0017  0.5009  0.5623  1.0
  Zn  Zn5  3  0.0000  0.0000  0.3133  1.0
  Zn  Zn6  3  0.0000  0.0000  0.8121  1.0
  Cd  Cd7  3  0.0000  0.0000  0.1274  1.0
]