data_Yb3Y
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.5
_cell_length_b   7.5
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb3Y
_chemical_formula_sum   'Yb6 Y2'
_cell_volume   297.94
_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  0.92  0.11  0.53  1.0
  Yb  Yb1  1  0.58  0.11  0.53  1.0
  Yb  Yb2  1  0.75  0.28  0.53  1.0
  Yb  Yb3  1  0.83  0.38  0.59  1.0
  Yb  Yb4  1  0.17  0.38  0.59  1.0
  Yb  Yb5  1  0.0  0.21  0.59  1.0
  Y  Y6  1  0.75  0.16  0.59  1.0
  Y  Y7  1  0.0  0.33  0.53  1.0

data_Yb3Y
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.12
_cell_length_b   7.5
_cell_length_c   7.5
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Yb3Y
_chemical_formula_sum   'Yb6 Y2'
_cell_volume   297.94
_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
  Yb  Yb0  2  0.47  0.21  0.86  1.0
  Yb  Yb1  2  0.47  0.37  0.03  1.0
  Yb  Yb2  2  0.47  0.54  0.86  1.0
  Y  Y3  2  0.47  0.63  0.08  1.0

Yb Yb Yb Yb Yb Yb Y Y