data_[Cs4Rb4Mn4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.7148]
_cell_length_b [16.0259]
_cell_length_c [6.9196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6248]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsRbMnSe3]
_chemical_formula_sum '[Cs4 Rb4 Mn4 Se12]'
_cell_volume [827.7963]
_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
[
  Cs  Cs0  4  0.0000  0.2410  0.2500  1.0
  Rb  Rb1  4  0.0000  0.4009  0.7500  1.0
  Mn  Mn2  4  0.0000  0.0431  0.7500  1.0
  Se  Se3  8  0.1939  0.0420  0.5112  1.0
  Se  Se4  4  0.0000  0.1913  0.7500  1.0
]