data_Y2AuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   3.49
_cell_angle_alpha   91.9
_cell_angle_beta   91.9
_cell_angle_gamma   93.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2AuSe
_chemical_formula_sum   'Y2 Au1 Se1'
_cell_volume   92.33
_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  Y2  1  0.68  0.88  0.74  1.0
  Y  Y3  1  0.68  0.12  0.74  1.0
  Au  Au0  1  0.53  0.0  0.0  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_Y2AuSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   93.61
_cell_angle_beta   91.9
_cell_angle_gamma   91.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2AuSe
_chemical_formula_sum   'Y2 Au1 Se1'
_cell_volume   92.33
_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  0.74  0.68  0.12  1.0
  Y  Y1  1  0.74  0.68  0.88  1.0
  Au  Au2  1  0.0  0.53  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Y Y Au Se