data_[Ca4Dy1Zn5]
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 [P4/mmm]
_cell_length_a [3.6499]
_cell_length_b [3.6499]
_cell_length_c [18.3075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ca4DyZn5]
_chemical_formula_sum '[Ca4 Dy1 Zn5]'
_cell_volume [243.8922]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.1961  1
  Ca  Ca1  2  0.0000  0.0000  0.3984  1
  Dy  Dy2  1  0.0000  0.0000  0.0000  1
  Zn  Zn3  2  0.5000  0.5000  0.0915  1
  Zn  Zn4  2  0.5000  0.5000  0.2978  1
  Zn  Zn5  1  0.5000  0.5000  0.5000  1
]