data_[B6As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [15.1849]
_cell_length_b [3.3090]
_cell_length_c [17.0915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BAs]
_chemical_formula_sum '[B6 As6]'
_cell_volume [858.7924]
_cell_formula_units_Z [6]
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
[
  B  B0  2  0.2395  0.5000  0.4472  1
  B  B1  2  0.2682  0.0000  0.4510  1
  B  B2  2  0.4414  0.5000  0.5365  1
  As  As3  2  0.0721  0.0000  0.5695  1
  As  As4  2  0.1056  0.5000  0.4705  1
  As  As5  2  0.3732  0.0000  0.5254  1
]