data_Y2AuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47
_cell_length_b   7.47
_cell_length_c   7.47
_cell_angle_alpha   150.9
_cell_angle_beta   149.69
_cell_angle_gamma   42.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2AuSe
_chemical_formula_sum   'Y2 Au1 Se1'
_cell_volume   102.1
_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  0.0  0.95  0.39  1.0
  Y  Y3  1  0.0  0.0  0.91  1.0
  Au  Au0  1  0.0  0.95  0.59  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   3.75
_cell_length_b   3.91
_cell_length_c   7.47
_cell_angle_alpha   105.15
_cell_angle_beta   104.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2AuSe
_chemical_formula_sum   'Y2 Au1 Se1'
_cell_volume   102.1
_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  0.0  0.91  0.91  1.0
  Y  Y1  1  0.05  0.44  0.44  1.0
  Au  Au2  1  0.05  0.63  0.63  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Y Y Au Se
Y Y Au Se 0 2 o o o 1 3 o o + 