data_B2AuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   3.66
_cell_angle_alpha   105.82
_cell_angle_beta   105.82
_cell_angle_gamma   89.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2AuSe
_chemical_formula_sum   'B2 Au1 Se1'
_cell_volume   66.82
_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  B1  1  0.58  0.57  0.0  1.0
  B  B2  1  0.58  0.43  0.0  1.0
  Au  Au0  1  0.15  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_B2AuSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   4.45
_cell_length_c   4.45
_cell_angle_alpha   89.68
_cell_angle_beta   74.18
_cell_angle_gamma   74.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2AuSe
_chemical_formula_sum   'B2 Au1 Se1'
_cell_volume   66.82
_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  1  -0.0  0.42  0.43  1.0
  B  B1  1  0.0  0.42  0.57  1.0
  Au  Au2  1  0.0  0.85  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

B B Au Se