data_[B2Sb2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.9330]
_cell_length_b [6.1204]
_cell_length_c [6.7888]
_cell_angle_alpha [90.3755]
_cell_angle_beta [100.3203]
_cell_angle_gamma [115.9294]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BSbSe]
_chemical_formula_sum '[B2 Sb2 Se2]'
_cell_volume [217.1079]
_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
[
  B  B0  1  0.5618  0.5765  0.0152  1
  B  B1  1  0.5667  0.7601  0.8507  1
  Sb  Sb2  1  0.0178  0.7648  0.9880  1
  Sb  Sb3  1  0.6789  0.2752  0.0571  1
  Se  Se4  1  0.4840  0.9600  0.6762  1
  Se  Se5  1  0.7828  0.7146  0.2941  1
]