data_[Cs1Be1Bi1Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [7.0421]
_cell_length_b [7.0421]
_cell_length_c [8.0473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [CsBeBiCl6]
_chemical_formula_sum '[Cs1 Be1 Bi1 Cl6]'
_cell_volume [345.6087]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.0209  1.0
  Be  Be1  1  0.6667  0.3333  0.3133  1.0
  Bi  Bi2  1  0.0000  0.0000  0.5698  1.0
  Cl  Cl3  3  0.3171  0.0343  0.7360  1.0
  Cl  Cl4  3  0.3715  0.2890  0.2989  1.0
]