data_[Ca4Ce1Cd5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ce  1.1200  1.8500  1.0800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8603]
_cell_length_b [3.8603]
_cell_length_c [19.2389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ca4CeCd5]
_chemical_formula_sum '[Ca4 Ce1 Cd5]'
_cell_volume [286.6959]
_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  0.2018  1.0
  Ca  Ca1  2  0.0000  0.0000  0.4001  1.0
  Ce  Ce2  1  0.0000  0.0000  0.0000  1.0
  Cd  Cd3  2  0.5000  0.5000  0.1022  1.0
  Cd  Cd4  2  0.5000  0.5000  0.3015  1.0
  Cd  Cd5  1  0.5000  0.5000  0.5000  1.0
]