data_[Ca4Ce8Te16]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [9.0763]
_cell_length_b [9.0910]
_cell_length_c [12.6458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Ca(CeTe2)2]
_chemical_formula_sum '[Ca4 Ce8 Te16]'
_cell_volume [1043.4369]
_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  0.0000  0.5000  1
  Ce  Ce1  4  0.0000  0.0000  0.0000  1
  Ce  Ce2  4  0.2500  0.2500  0.7500  1
  Te  Te3  8  0.0000  0.0066  0.7508  1
  Te  Te4  8  0.2496  0.2500  0.0036  1
]