data_YSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.4
_cell_length_b   10.4
_cell_length_c   3.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   158.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSe2
_chemical_formula_sum   'Y2 Se4'
_cell_volume   159.93
_cell_formula_units_Z   2
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  Y4  1  0.98  0.38  0.99  1.0
  Y  Y5  1  0.98  0.62  0.97  1.0
  Se  Se0  1  0.98  0.85  0.99  1.0
  Se  Se1  1  0.98  0.15  0.97  1.0
  Se  Se2  1  0.98  0.9  0.99  1.0
  Se  Se3  1  0.98  0.1  0.97  1.0

data_YSe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   10.4
_cell_angle_alpha   90.0
_cell_angle_beta   100.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   YSe2
_chemical_formula_sum   'Y2 Se4'
_cell_volume   159.93
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.38  0.99  0.38  1.0
  Se  Se1  2  0.1  0.01  0.1  1.0
  Se  Se2  2  0.15  0.01  0.15  1.0

Y Y Se Se Se Se
Y Y Se Se Se Se 0 1 o o o 0 5 o o o 0 3 o o o 1 4 o o o 1 2 o o o 2 4 o o o 3 5 o o o 