data_[Ce4W2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  W  2.3600  1.3500  0.7667
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4157]
_cell_length_b [7.5654]
_cell_length_c [11.0629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ce2WSe6]
_chemical_formula_sum '[Ce4 W2 Se12]'
_cell_volume [440.4616]
_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  4  0.2047  0.6242  0.2493  1
  W  W1  2  0.5000  0.0000  0.5000  1
  Se  Se2  4  0.1040  0.6712  0.9421  1
  Se  Se3  4  0.2935  0.1954  0.9440  1
  Se  Se4  4  0.3548  0.5232  0.7332  1
]