data_[Cs2Be2Bi2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [9.5208]
_cell_length_b [3.9524]
_cell_length_c [9.8931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0135]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsBeBiS3]
_chemical_formula_sum '[Cs2 Be2 Bi2 S6]'
_cell_volume [349.7981]
_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
[
  Cs  Cs0  2  0.2316  0.2500  0.1908  1.0
  Be  Be1  2  0.4006  0.7500  0.9249  1.0
  Bi  Bi2  2  0.1459  0.2500  0.6596  1.0
  S  S3  2  0.1509  0.7500  0.4493  1.0
  S  S4  2  0.1666  0.7500  0.8657  1.0
  S  S5  2  0.4757  0.2500  0.8535  1.0
]