data_[Cs2Sm2Mn2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sm  1.1700  1.8500  1.2290
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6918]
_cell_length_b [6.7807]
_cell_length_c [10.0628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8945]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsSmMnSe4]
_chemical_formula_sum '[Cs2 Sm2 Mn2 Se8]'
_cell_volume [432.0008]
_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
[
  Cs  Cs0  2  0.2596  0.2500  0.0601  1.0
  Sm  Sm1  2  0.2300  0.2500  0.5457  1.0
  Mn  Mn2  2  0.2171  0.7500  0.3324  1.0
  Se  Se3  4  0.0248  0.5082  0.7034  1.0
  Se  Se4  2  0.4034  0.7500  0.5679  1.0
  Se  Se5  2  0.4159  0.7500  0.1837  1.0
]