data_[Ce6Zn6As6Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3260]
_cell_length_b [4.3260]
_cell_length_c [39.8456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CeZnAsSe]
_chemical_formula_sum '[Ce6 Zn6 As6 Se6]'
_cell_volume [645.7805]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.0888  1.0
  Zn  Zn1  6  0.0000  0.0000  0.3091  1.0
  As  As2  6  0.0000  0.0000  0.3743  1.0
  Se  Se3  6  0.0000  0.0000  0.2097  1.0
]