data_[Ba8Ce4Mn4Se20]
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
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3884]
_cell_length_b [18.6729]
_cell_length_c [13.4042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2CeMnSe5]
_chemical_formula_sum '[Ba8 Ce4 Mn4 Se20]'
_cell_volume [1098.3993]
_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
[
  Ba  Ba0  4  0.0000  0.1164  0.6901  1
  Ba  Ba1  4  0.0000  0.1215  0.3325  1
  Ce  Ce2  4  0.0000  0.1990  0.0248  1
  Mn  Mn3  4  0.0000  0.4418  0.4306  1
  Se  Se4  4  0.0000  0.0423  0.0212  1
  Se  Se5  4  0.0000  0.2992  0.6662  1
  Se  Se6  4  0.0000  0.3106  0.3768  1
  Se  Se7  4  0.0000  0.3492  0.0124  1
  Se  Se8  4  0.0000  0.4989  0.7695  1
]