data_[Ce4Ge1Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.9746]
_cell_length_b [5.9746]
_cell_length_c [5.9746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [221]
_chemical_formula_structural [Ce4GeSe3]
_chemical_formula_sum '[Ce4 Ge1 Se3]'
_cell_volume [213.2678]
_cell_formula_units_Z [1]
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  3  0.0000  0.0000  0.5000  1.0
  Ce  Ce1  1  0.5000  0.5000  0.5000  1.0
  Ge  Ge2  1  0.0000  0.0000  0.0000  1.0
  Se  Se3  3  0.0000  0.5000  0.5000  1.0
]