data_[Be6As2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [20.4008]
_cell_length_b [3.7317]
_cell_length_c [15.1397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Be3AsBr3]
_chemical_formula_sum '[Be6 As2 Br6]'
_cell_volume [1152.5765]
_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
[
  Be  Be0  4  0.0677  0.0000  0.1632  1
  Be  Be1  2  0.0000  0.0000  0.5967  1
  As  As2  2  0.0000  0.0000  0.0381  1
  Br  Br3  4  0.1324  0.0000  0.6751  1
  Br  Br4  2  0.0000  0.0000  0.2796  1
]