data_YBSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   3.89
_cell_angle_alpha   92.31
_cell_angle_beta   92.31
_cell_angle_gamma   40.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBSe2
_chemical_formula_sum   'Y1 B1 Se2'
_cell_volume   76.93
_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
  Y  Y3  1  0.57  0.0  0.49  1.0
  B  B0  1  0.65  0.0  0.72  1.0
  Se  Se1  1  0.73  0.0  0.48  1.0
  Se  Se2  1  0.53  0.0  0.15  1.0

data_YBSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   3.89
_cell_length_c   5.49
_cell_angle_alpha   92.31
_cell_angle_beta   110.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBSe2
_chemical_formula_sum   'Y1 B1 Se2'
_cell_volume   76.93
_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
  Y  Y0  1  0.0  0.49  0.57  1.0
  B  B1  1  0.0  0.72  0.65  1.0
  Se  Se2  1  0.0  0.15  0.53  1.0
  Se  Se3  1  0.0  0.48  0.73  1.0

Y B Se Se