data_[Ca1Y1Zn1Cd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Y  1.2200  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.7083]
_cell_length_b [3.7083]
_cell_length_c [7.4342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [CaYZnCd]
_chemical_formula_sum '[Ca1 Y1 Zn1 Cd1]'
_cell_volume [102.2328]
_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  1  0.0000  0.0000  0.3690  1
  Y  Y1  1  0.0000  0.0000  0.8401  1
  Zn  Zn2  1  0.5000  0.5000  0.6247  1
  Cd  Cd3  1  0.5000  0.5000  0.0942  1
]