data_YbClO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.51
_cell_length_b   9.51
_cell_length_c   9.51
_cell_angle_alpha   23.58
_cell_angle_beta   23.58
_cell_angle_gamma   23.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbClO
_chemical_formula_sum   'Yb2 Cl2 O2'
_cell_volume   120.84
_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  0.72  1.0
  Yb  Yb1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.0  0.1  1.0
  Cl  Cl3  1  0.0  0.0  0.63  1.0
  O  O4  1  0.0  0.0  0.44  1.0
  O  O5  1  0.0  0.0  0.29  1.0

data_YbClO
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   6.73
_cell_length_b   3.89
_cell_length_c   9.51
_cell_angle_alpha   90.0
_cell_angle_beta   103.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   YbClO
_chemical_formula_sum   'Yb4 Cl4 O4'
_cell_volume   241.67
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  'x+1/2, -y+1/2, 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  4  0.0  0.0  0.14  1.0
  Cl  Cl1  4  0.0  0.0  0.24  1.0
  O  O2  4  0.0  0.0  0.43  1.0

Yb Yb Cl Cl O O
Yb Yb Cl Cl O O 0 3 o o o 1 2 o o o 4 5 o o o 