data_BeAuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   6.08
_cell_angle_alpha   148.59
_cell_angle_beta   138.33
_cell_angle_gamma   53.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAuSe2
_chemical_formula_sum   'Be1 Au1 Se2'
_cell_volume   77.62
_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
  Be  Be1  1  0.0  0.0  0.46  1.0
  Au  Au0  1  0.0  0.16  0.95  1.0
  Se  Se2  1  0.0  0.16  0.54  1.0
  Se  Se3  1  0.0  0.0  0.38  1.0

data_BeAuSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.33
_cell_length_c   6.08
_cell_angle_alpha   110.83
_cell_angle_beta   105.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAuSe2
_chemical_formula_sum   'Be1 Au1 Se2'
_cell_volume   77.62
_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
  Be  Be0  1  0.54  0.54  0.54  1.0
  Au  Au1  1  0.05  0.22  0.22  1.0
  Se  Se2  1  0.46  0.62  0.62  1.0
  Se  Se3  1  0.62  0.62  0.62  1.0

Be Au Se Se