data_[Ba4Ce2Dy2Se12]
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
  Dy  1.2200  1.7500  1.1310
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4364]
_cell_length_b [8.0481]
_cell_length_c [13.1845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.7827]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2CeDySe6]
_chemical_formula_sum '[Ba4 Ce2 Dy2 Se12]'
_cell_volume [655.8484]
_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  4  0.2210  0.5793  0.7495  1.0
  Ce  Ce1  2  0.5000  0.0000  0.0000  1.0
  Dy  Dy2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  4  0.1439  0.6979  0.4530  1.0
  Se  Se4  4  0.2611  0.1996  0.4521  1.0
  Se  Se5  4  0.3402  0.5196  0.2496  1.0
]