data_[Be2B2Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  B  2.0400  0.8500  0.4100
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.0209]
_cell_length_b [5.3877]
_cell_length_c [6.4355]
_cell_angle_alpha [77.9649]
_cell_angle_beta [84.8837]
_cell_angle_gamma [77.1413]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BeBSb]
_chemical_formula_sum '[Be2 B2 Sb2]'
_cell_volume [99.7710]
_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  2  0.1344  0.8052  0.9468  1
  B  B1  2  0.2699  0.4426  0.0154  1
  Sb  Sb2  2  0.0311  0.8058  0.3535  1
]