data_[Ca2Ce2Y4Te8]
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
  Y  1.2200  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [6.3024]
_cell_length_b [6.3024]
_cell_length_c [12.5831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [CaCe(YTe2)2]
_chemical_formula_sum '[Ca2 Ce2 Y4 Te8]'
_cell_volume [499.8057]
_cell_formula_units_Z [2]
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  0.0000  1.0
  Ce  Ce1  2  0.0000  0.5000  0.2500  1.0
  Y  Y2  2  0.0000  0.0000  0.5000  1.0
  Y  Y3  2  0.0000  0.5000  0.7500  1.0
  Te  Te4  4  0.0000  0.0000  0.2502  1.0
  Te  Te5  4  0.0000  0.5000  0.5040  1.0
]