data_[B2Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.1637]
_cell_length_b [18.8254]
_cell_length_c [5.9902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1100]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [B2Se3]
_chemical_formula_sum '[B2 Se3]'
_cell_volume [347.4695]
_cell_formula_units_Z [1]
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  0.7550  0.4450  0.9715  1
  Se  Se1  2  0.3113  0.3984  0.1026  1
  Se  Se2  1  0.6269  0.5000  0.6752  1
]