# generated using pymatgen
data_Yb3C3BrF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.50139526
_cell_length_b   6.50139566
_cell_length_c   10.96814164
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   146.93055656
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb3C3BrF
_chemical_formula_sum   'Yb6 C6 Br2 F2'
_cell_volume   252.96733736
_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  0.66227387  0.33772613  0.58471625  1.0
  Yb  Yb1  1  0.33772613  0.66227387  0.41528375  1.0
  Yb  Yb2  1  0.33772613  0.66227387  0.08471625  1.0
  Yb  Yb3  1  0.66227387  0.33772613  0.91528375  1.0
  Yb  Yb4  1  0.08792891  0.91207109  0.25000000  1.0
  Yb  Yb5  1  0.91207109  0.08792891  0.75000000  1.0
  C  C6  1  0.28573733  0.71426267  0.62996683  1.0
  C  C7  1  0.71426267  0.28573733  0.37003317  1.0
  C  C8  1  0.71426267  0.28573733  0.12996683  1.0
  C  C9  1  0.28573733  0.71426267  0.87003317  1.0
  C  C10  1  0.72498665  0.27501335  0.25000000  1.0
  C  C11  1  0.27501335  0.72498665  0.75000000  1.0
  Br  Br12  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br13  1  0.00000000  0.00000000  0.50000000  1.0
  F  F14  1  0.54230086  0.45769914  0.75000000  1.0
  F  F15  1  0.45769914  0.54230086  0.25000000  1.0