data_[Ca8Dy4Zn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Dy  1.2200  1.7500  1.1310
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.1658]
_cell_length_b [15.3806]
_cell_length_c [7.2680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ca2DyZn3]
_chemical_formula_sum '[Ca8 Dy4 Zn12]'
_cell_volume [577.4700]
_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  0.3336  0.5000  1
  Ca  Ca1  2  0.0000  0.0000  0.0000  1
  Ca  Ca2  2  0.0000  0.0000  0.5000  1
  Dy  Dy3  4  0.0000  0.3338  0.0000  1
  Zn  Zn4  8  0.0000  0.1696  0.2334  1
  Zn  Zn5  4  0.0000  0.5000  0.2370  1
]