data_[Ca8Zn8Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.3403]
_cell_length_b [12.6424]
_cell_length_c [6.0552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ca2Zn2Ni]
_chemical_formula_sum '[Ca8 Zn8 Ni4]'
_cell_volume [485.3691]
_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  8  0.2073  0.8587  0.5000  1
  Zn  Zn1  8  0.2067  0.6084  0.5000  1
  Ni  Ni2  4  0.0000  0.5000  0.2500  1
]