data_[Ca4Mg8Zn8]
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 [4.9701]
_cell_length_b [14.4666]
_cell_length_c [6.1019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ca(MgZn)2]
_chemical_formula_sum '[Ca4 Mg8 Zn8]'
_cell_volume [438.7322]
_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  0.0943  0.1144  1
  Mg  Mg1  4  0.0000  0.3125  0.8968  1
  Mg  Mg2  4  0.0000  0.4632  0.2572  1
  Zn  Zn3  4  0.0000  0.1363  0.6280  1
  Zn  Zn4  4  0.0000  0.2860  0.3992  1
]