data_[Ce2Y4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Immm]
_cell_length_a [4.4703]
_cell_length_b [6.4003]
_cell_length_c [13.6074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [CeY2Te3]
_chemical_formula_sum '[Ce2 Y4 Te6]'
_cell_volume [389.3268]
_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
[
  Ce  Ce0  2  0.0000  0.0000  0.5000  1.0
  Y  Y1  4  0.0000  0.0000  0.1638  1.0
  Te  Te2  4  0.0000  0.5000  0.1726  1.0
  Te  Te3  2  0.0000  0.5000  0.5000  1.0
]