data_[Ba3Be6Sn3Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Be  1.5700  1.0500  0.5900
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.2278]
_cell_length_b [6.2278]
_cell_length_c [27.0881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [BaBe2SnCl8]
_chemical_formula_sum '[Ba3 Be6 Sn3 Cl24]'
_cell_volume [909.8758]
_cell_formula_units_Z [3]
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
[
  Ba  Ba0  3  -0.0000  0.0000  0.5000  1.0
  Be  Be1  6  0.0000  0.0000  0.2453  1.0
  Sn  Sn2  3  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  18  0.0081  0.3744  0.9355  1.0
  Cl  Cl4  6  0.0000  0.0000  0.1712  1.0
]