data_[Ce3Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.4193]
_cell_length_b [8.4193]
_cell_length_c [4.4394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [CeTe2]
_chemical_formula_sum '[Ce3 Te6]'
_cell_volume [272.5252]
_cell_formula_units_Z [3]
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
[
  Ce  Ce0  2  0.3333  0.6667  0.5000  1.0
  Ce  Ce1  1  0.0000  0.0000  0.0000  1.0
  Te  Te2  3  0.0000  0.4012  0.0000  1.0
  Te  Te3  3  0.0000  0.7387  0.5000  1.0
]