data_[Ce4In4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.0654]
_cell_length_b [8.1703]
_cell_length_c [7.9031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6696]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CeInTe2]
_chemical_formula_sum '[Ce4 In4 Te8]'
_cell_volume [498.9059]
_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
[
  Ce  Ce0  4  0.2025  0.0498  0.7650  1
  In  In1  4  0.2916  0.5266  0.8670  1
  Te  Te2  4  0.0594  0.7173  0.5335  1
  Te  Te3  4  0.4569  0.1869  0.1402  1
]