data_B2AuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   134.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2AuSe
_chemical_formula_sum   'B2 Au1 Se1'
_cell_volume   68.44
_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  0.48  0.0  0.94  1.0
  B  B2  1  0.48  0.0  0.59  1.0
  Au  Au0  1  0.0  0.0  0.26  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   2.97
_cell_length_b   3.83
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2AuSe
_chemical_formula_sum   'B2 Au1 Se1'
_cell_volume   68.44
_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  0.48  0.59  1.0
  B  B1  1  0.0  0.48  0.94  1.0
  Au  Au2  1  0.0  0.0  0.26  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

B B Au Se