data_[Ba2Ce2Ag2Se8]
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
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6354]
_cell_length_b [5.7690]
_cell_length_c [9.4027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9109]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaCeAgSe4]
_chemical_formula_sum '[Ba2 Ce2 Ag2 Se8]'
_cell_volume [391.8169]
_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  0.2620  0.7500  0.0572  1.0
  Ce  Ce1  2  0.2813  0.7500  0.5623  1.0
  Ag  Ag2  2  0.2539  0.2500  0.3049  1.0
  Se  Se3  4  0.0344  0.0184  0.7175  1.0
  Se  Se4  2  0.4376  0.2500  0.5946  1.0
  Se  Se5  2  0.4564  0.2500  0.1344  1.0
]