data_[Ca4Zn8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0562]
_cell_length_b [4.4258]
_cell_length_c [5.8768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4430]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaZn2]
_chemical_formula_sum '[Ca4 Zn8]'
_cell_volume [271.1634]
_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  0.1067  0.0000  0.3095  1.0
  Zn  Zn1  4  0.0995  0.5000  0.6978  1.0
  Zn  Zn2  4  0.2218  0.0000  0.8722  1.0
]