data_Y2AsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   6.37
_cell_length_c   6.37
_cell_angle_alpha   36.08
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2AsSe
_chemical_formula_sum   'Y2 As1 Se1'
_cell_volume   99.62
_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
  Y  Y2  1  0.09  0.0  0.18  1.0
  Y  Y3  1  0.0  0.0  0.94  1.0
  As  As0  1  0.0  0.0  0.01  1.0
  Se  Se1  1  0.09  0.0  0.03  1.0

data_Y2AsSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   4.17
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   108.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2AsSe
_chemical_formula_sum   'Y2 As1 Se1'
_cell_volume   99.62
_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
  Y  Y0  1  0.06  0.0  0.06  1.0
  Y  Y1  1  0.82  0.09  0.82  1.0
  As  As2  1  0.99  0.0  0.99  1.0
  Se  Se3  1  0.97  0.09  0.97  1.0

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