data_[Ce4Cu4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6956]
_cell_length_b [7.5116]
_cell_length_c [7.2445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8818]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CeCuSe2]
_chemical_formula_sum '[Ce4 Cu4 Se8]'
_cell_volume [361.7329]
_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  0.3090  0.0476  0.2004  1.0
  Cu  Cu1  4  0.0619  0.6620  0.0391  1.0
  Se  Se2  4  0.0995  0.1124  0.7839  1.0
  Se  Se3  4  0.4129  0.7246  0.0002  1.0
]