data_[K2Hf2Mn2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hf  1.3000  1.5500  0.8500
  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 [8.8594]
_cell_length_b [3.9219]
_cell_length_c [9.6811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6544]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KHfMnSe3]
_chemical_formula_sum '[K2 Hf2 Mn2 Se6]'
_cell_volume [312.6417]
_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  0.2177  0.7500  0.2512  1
  Hf  Hf1  2  0.3226  0.2500  0.8459  1
  Mn  Mn2  2  0.0818  0.7500  0.6093  1
  Se  Se3  2  0.1222  0.7500  0.8738  1
  Se  Se4  2  0.2235  0.2500  0.5469  1
  Se  Se5  2  0.4616  0.2500  0.1502  1
]