data_[K8Mn4Bi4Se16]
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/c]
_cell_length_a [12.0409]
_cell_length_b [12.0294]
_cell_length_c [8.6882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.5837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K2MnBiSe4]
_chemical_formula_sum '[K8 Mn4 Bi4 Se16]'
_cell_volume [911.5784]
_cell_formula_units_Z [4]
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  0.5000  0.0000  1.0
  K  K1  4  0.2500  0.2500  0.0000  1.0
  Mn  Mn2  4  0.0000  0.0000  0.0000  1.0
  Bi  Bi3  4  0.2500  0.2500  0.5000  1.0
  Se  Se4  8  0.0058  0.2140  0.0242  1.0
  Se  Se5  8  0.2074  0.0074  0.4919  1.0
]