data_[Ba2Ce2Zn2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9717]
_cell_length_b [6.3255]
_cell_length_c [8.8244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5850]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaCeZnSe4]
_chemical_formula_sum '[Ba2 Ce2 Zn2 Se8]'
_cell_volume [370.9671]
_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
[
  Ba  Ba0  2  0.2557  0.7500  0.0605  1.0
  Ce  Ce1  2  0.2498  0.7500  0.5584  1.0
  Zn  Zn2  2  0.2414  0.2500  0.3218  1.0
  Se  Se3  4  0.0203  0.0164  0.7237  1.0
  Se  Se4  2  0.4315  0.2500  0.1392  1.0
  Se  Se5  2  0.4372  0.2500  0.5928  1.0
]