data_[Be6In9Br24]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2812]
_cell_length_b [7.2812]
_cell_length_c [26.0422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Be2In3Br8]
_chemical_formula_sum '[Be6 In9 Br24]'
_cell_volume [1195.6697]
_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
[
  Be  Be0  6  0.0000  0.0000  0.3957  1
  In  In1  6  0.0000  0.0000  0.2018  1
  In  In2  3  0.0000  0.0000  0.0000  1
  Br  Br3  18  0.0033  0.5016  0.2434  1
  Br  Br4  6  0.0000  0.0000  0.6865  1
]