data_[K2Sm2Mn2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [9.1507]
_cell_length_b [4.2798]
_cell_length_c [9.9013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2389]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KSmMnSe3]
_chemical_formula_sum '[K2 Sm2 Mn2 Se6]'
_cell_volume [372.2932]
_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
[
  K  K0  2  0.2015  0.2500  0.2285  1.0
  Sm  Sm1  2  0.3324  0.7500  0.8575  1.0
  Mn  Mn2  2  0.0859  0.2500  0.6071  1.0
  Se  Se3  2  0.1089  0.2500  0.8608  1.0
  Se  Se4  2  0.2023  0.7500  0.5327  1.0
  Se  Se5  2  0.4565  0.7500  0.1603  1.0
]