data_YAs2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   4.04
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   108.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAs2Se
_chemical_formula_sum   'Y1 As2 Se1'
_cell_volume   90.4
_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  0.02  0.02  0.98  1.0
  As  As0  1  0.33  0.0  0.53  1.0
  As  As1  1  0.74  0.02  0.76  1.0
  Se  Se2  1  0.02  0.0  0.21  1.0

data_YAs2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   4.04
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   108.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAs2Se
_chemical_formula_sum   'Y1 As2 Se1'
_cell_volume   90.4
_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  0.02  0.02  0.98  1.0
  As  As1  1  0.33  0.0  0.53  1.0
  As  As2  1  0.74  0.02  0.76  1.0
  Se  Se3  1  0.02  0.0  0.21  1.0

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