# generated using pymatgen
data_Yb3C3ClF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36090092
_cell_length_b   6.36090171
_cell_length_c   10.89371390
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   146.57093942
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb3C3ClF
_chemical_formula_sum   'Yb6 C6 Cl2 F2'
_cell_volume   242.82270381
_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  0.65633490  0.34366510  0.58151004  1.0
  Yb  Yb1  1  0.34366510  0.65633490  0.41848996  1.0
  Yb  Yb2  1  0.34366510  0.65633490  0.08151004  1.0
  Yb  Yb3  1  0.65633490  0.34366510  0.91848996  1.0
  Yb  Yb4  1  0.08877812  0.91122188  0.25000000  1.0
  Yb  Yb5  1  0.91122188  0.08877812  0.75000000  1.0
  C  C6  1  0.28335511  0.71664489  0.62955873  1.0
  C  C7  1  0.71664489  0.28335511  0.37044127  1.0
  C  C8  1  0.71664489  0.28335511  0.12955873  1.0
  C  C9  1  0.28335511  0.71664489  0.87044127  1.0
  C  C10  1  0.72853289  0.27146711  0.25000000  1.0
  C  C11  1  0.27146711  0.72853289  0.75000000  1.0
  Cl  Cl12  1  0.00000000  0.00000000  0.00000000  1.0
  Cl  Cl13  1  0.00000000  0.00000000  0.50000000  1.0
  F  F14  1  0.53777916  0.46222084  0.75000000  1.0
  F  F15  1  0.46222084  0.53777916  0.25000000  1.0