data_[K6Mn2Bi4Se12]
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 [C2/m]
_cell_length_a [7.2329]
_cell_length_b [12.6865]
_cell_length_c [8.0248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3500]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Mn(BiSe3)2]
_chemical_formula_sum '[K6 Mn2 Bi4 Se12]'
_cell_volume [702.8563]
_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  4  0.0000  0.1738  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Mn  Mn2  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi3  4  0.0000  0.3320  0.0000  1.0
  Se  Se4  8  0.2191  0.1524  0.2010  1.0
  Se  Se5  4  0.2286  0.0000  0.8049  1.0
]