data_[K2Mn2Bi2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mn  1.5500  1.4000  0.6483
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.4015]
_cell_length_b [4.2806]
_cell_length_c [9.8036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9821]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KMnBiSe3]
_chemical_formula_sum '[K2 Mn2 Bi2 Se6]'
_cell_volume [381.1304]
_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  0.1895  0.7500  0.2286  1
  Mn  Mn1  2  0.0895  0.7500  0.6061  1
  Bi  Bi2  2  0.3389  0.2500  0.8633  1
  Se  Se3  2  0.1209  0.7500  0.8675  1
  Se  Se4  2  0.1926  0.2500  0.5179  1
  Se  Se5  2  0.4439  0.2500  0.1577  1
]