data_[K2Be2Bi2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Be  1.5700  1.0500  0.5900
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9976]
_cell_length_b [3.8857]
_cell_length_c [9.3301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KBeBiS3]
_chemical_formula_sum '[K2 Be2 Bi2 S6]'
_cell_volume [315.9629]
_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  0.2169  0.2500  0.1726  1.0
  Be  Be1  2  0.4055  0.7500  0.9240  1.0
  Bi  Bi2  2  0.1531  0.2500  0.6543  1.0
  S  S3  2  0.1490  0.7500  0.4248  1.0
  S  S4  2  0.1641  0.7500  0.8703  1.0
  S  S5  2  0.4909  0.2500  0.8474  1.0
]