data_YAu2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   3.95
_cell_angle_alpha   72.46
_cell_angle_beta   72.32
_cell_angle_gamma   35.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAu2Se
_chemical_formula_sum   'Y1 Au2 Se1'
_cell_volume   91.76
_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  0.78  0.8  0.89  1.0
  Au  Au0  1  0.39  0.0  0.95  1.0
  Au  Au1  1  0.39  0.8  0.95  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_YAu2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   6.52
_cell_angle_alpha   107.54
_cell_angle_beta   107.54
_cell_angle_gamma   90.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAu2Se
_chemical_formula_sum   'Y1 Au2 Se1'
_cell_volume   91.76
_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  0.53  0.2  0.42  1.0
  Au  Au1  1  0.66  0.0  0.61  1.0
  Au  Au2  1  0.86  0.2  0.81  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Y Au Au Se