data_[Ce10Ru2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ru  2.2000  1.3000  0.6610
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1841]
_cell_length_b [4.1841]
_cell_length_c [29.3228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ce5RuSe4]
_chemical_formula_sum '[Ce10 Ru2 Se8]'
_cell_volume [513.3421]
_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  0.0000  0.0000  0.0917  1
  Ce  Ce1  4  0.0000  0.0000  0.2980  1
  Ce  Ce2  2  0.0000  0.0000  0.5000  1
  Ru  Ru3  2  0.0000  0.0000  0.0000  1
  Se  Se4  4  0.0000  0.0000  0.1960  1
  Se  Se5  4  0.0000  0.0000  0.3990  1
]