data_[Ca8Mg8Zn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5386]
_cell_length_b [10.9554]
_cell_length_c [11.0032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ca2Mg2Zn]
_chemical_formula_sum '[Ca8 Mg8 Zn4]'
_cell_volume [547.1090]
_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  4  0.0000  0.0964  0.6709  1.0
  Ca  Ca1  4  0.0000  0.1984  0.3384  1.0
  Mg  Mg2  4  0.0000  0.1807  0.0272  1.0
  Mg  Mg3  4  0.0000  0.4978  0.9290  1.0
  Zn  Zn4  4  0.0000  0.3933  0.6686  1.0
]