data_[Be8In4Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.5892]
_cell_length_b [11.9529]
_cell_length_c [6.2009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6851]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Be2InCl6]
_chemical_formula_sum '[Be8 In4 Cl24]'
_cell_volume [898.3498]
_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
[
  Be  Be0  8  0.2025  0.4268  0.7778  1
  In  In1  4  0.0000  0.1500  0.7500  1
  Cl  Cl2  8  0.1298  0.0791  0.1586  1
  Cl  Cl3  8  0.1392  0.2837  0.6197  1
  Cl  Cl4  8  0.1486  0.4410  0.0606  1
]