data_[Ce4Cu4Se4]
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 [C2/m]
_cell_length_a [15.2324]
_cell_length_b [3.6939]
_cell_length_c [4.5886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5411]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeCuSe]
_chemical_formula_sum '[Ce4 Cu4 Se4]'
_cell_volume [258.1695]
_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  0.1040  0.0000  0.2532  1
  Cu  Cu1  4  0.2401  0.0000  0.7567  1
  Se  Se2  4  0.0807  0.5000  0.7523  1
]