data_YbCeSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.22
_cell_length_b   7.22
_cell_length_c   9.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   147.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbCeSe3
_chemical_formula_sum   'Yb2 Ce2 Se6'
_cell_volume   270.48
_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
  Yb  Yb0  1  0.0  0.0  0.83  1.0
  Yb  Yb1  1  0.0  0.0  0.0  1.0
  Ce  Ce2  1  0.02  0.49  0.42  1.0
  Ce  Ce3  1  0.02  0.51  0.25  1.0
  Se  Se4  1  0.02  0.47  0.25  1.0
  Se  Se5  1  0.02  0.53  0.42  1.0
  Se  Se6  1  0.02  0.92  0.68  1.0
  Se  Se7  1  0.02  0.08  0.98  1.0
  Se  Se8  1  0.02  0.92  0.15  1.0
  Se  Se9  1  0.02  0.08  0.51  1.0

data_YbCeSe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   7.22
_cell_length_c   9.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbCeSe3
_chemical_formula_sum   'Yb2 Ce2 Se6'
_cell_volume   270.48
_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
  Yb  Yb0  1  0.0  0.0  0.0  1.0
  Yb  Yb1  1  0.0  0.0  0.83  1.0
  Ce  Ce2  1  0.49  0.51  0.25  1.0
  Ce  Ce3  1  0.51  0.53  0.42  1.0
  Se  Se4  1  0.08  0.09  0.15  1.0
  Se  Se5  1  0.08  0.09  0.68  1.0
  Se  Se6  1  0.47  0.49  0.42  1.0
  Se  Se7  1  0.53  0.55  0.25  1.0
  Se  Se8  1  0.92  0.94  0.51  1.0
  Se  Se9  1  0.92  0.94  0.98  1.0

Yb Yb Ce Ce Se Se Se Se Se Se
Yb Yb Ce Ce Se Se Se Se Se Se 0 7 o o o 0 6 o - o 0 1 o o + 1 7 o o - 1 8 o - o 2 5 o o o 3 4 o o o 6 9 o + o 