data_[Ca16Zn4Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.3706]
_cell_length_b [9.3706]
_cell_length_c [9.3706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Ca4ZnSb]
_chemical_formula_sum '[Ca16 Zn4 Sb4]'
_cell_volume [822.8212]
_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  16  0.1240  0.1240  0.6240  1
  Zn  Zn1  4  0.0000  0.0000  0.0000  1
  Sb  Sb2  4  0.2500  0.2500  0.2500  1
]