data_LaYbSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07
_cell_length_b   7.07
_cell_length_c   10.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   145.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYbSe3
_chemical_formula_sum   'La2 Yb2 Se6'
_cell_volume   281.63
_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
  La  La0  1  0.08  0.69  0.51  1.0
  La  La1  1  0.08  0.31  0.52  1.0
  Yb  Yb8  1  0.0  0.0  0.02  1.0
  Yb  Yb9  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.08  0.02  0.3  1.0
  Se  Se3  1  0.08  0.54  0.51  1.0
  Se  Se4  1  0.08  0.02  0.72  1.0
  Se  Se5  1  0.08  0.98  0.31  1.0
  Se  Se6  1  0.08  0.46  0.52  1.0
  Se  Se7  1  0.08  0.98  0.73  1.0

data_LaYbSe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   7.07
_cell_length_c   10.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYbSe3
_chemical_formula_sum   'La2 Yb2 Se6'
_cell_volume   281.63
_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  0.02  1.0
  La  La2  1  0.31  0.39  0.51  1.0
  La  La3  1  0.69  0.77  0.52  1.0
  Se  Se4  1  0.02  0.09  0.31  1.0
  Se  Se5  1  0.02  0.09  0.73  1.0
  Se  Se6  1  0.46  0.54  0.51  1.0
  Se  Se7  1  0.54  0.62  0.52  1.0
  Se  Se8  1  0.98  0.06  0.3  1.0
  Se  Se9  1  0.98  0.06  0.72  1.0

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