# generated using pymatgen
data_Yb3C3BrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94285976
_cell_length_b   6.94285985
_cell_length_c   11.40918940
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   148.29172508
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb3C3BrCl
_chemical_formula_sum   'Yb6 C6 Br2 Cl2'
_cell_volume   289.05628234
_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  0.66187914  0.33812086  0.56657641  1.0
  Yb  Yb1  1  0.33812086  0.66187914  0.43342359  1.0
  Yb  Yb2  1  0.33812086  0.66187914  0.06657641  1.0
  Yb  Yb3  1  0.66187914  0.33812086  0.93342359  1.0
  Yb  Yb4  1  0.11685649  0.88314351  0.25000000  1.0
  Yb  Yb5  1  0.88314351  0.11685649  0.75000000  1.0
  C  C6  1  0.27190512  0.72809488  0.63434949  1.0
  C  C7  1  0.72809488  0.27190512  0.36565051  1.0
  C  C8  1  0.72809488  0.27190512  0.13434949  1.0
  C  C9  1  0.27190512  0.72809488  0.86565051  1.0
  C  C10  1  0.73861770  0.26138230  0.25000000  1.0
  C  C11  1  0.26138230  0.73861770  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
  Cl  Cl14  1  0.53204848  0.46795152  0.75000000  1.0
  Cl  Cl15  1  0.46795152  0.53204848  0.25000000  1.0