# generated using pymatgen
data_Er4CCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71244115
_cell_length_b   12.21502560
_cell_length_c   12.72248736
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er4CCl6
_chemical_formula_sum   'Er8 C2 Cl12'
_cell_volume   576.93380551
_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
  Er  Er0  1  0.00000000  0.10423839  0.08002401  1.0
  Er  Er1  1  0.00000000  0.89576161  0.91997599  1.0
  Er  Er2  1  0.00000000  0.60423839  0.41997599  1.0
  Er  Er3  1  0.00000000  0.39576161  0.58002401  1.0
  Er  Er4  1  0.50000000  0.12287083  0.85235005  1.0
  Er  Er5  1  0.50000000  0.87712917  0.14764995  1.0
  Er  Er6  1  0.50000000  0.62287083  0.64764995  1.0
  Er  Er7  1  0.50000000  0.37712917  0.35235005  1.0
  C  C8  1  0.50000000  0.00000000  0.00000000  1.0
  C  C9  1  0.50000000  0.50000000  0.50000000  1.0
  Cl  Cl10  1  0.50000000  0.26433820  0.67958961  1.0
  Cl  Cl11  1  0.50000000  0.73566180  0.32041039  1.0
  Cl  Cl12  1  0.50000000  0.76433820  0.82041039  1.0
  Cl  Cl13  1  0.50000000  0.23566180  0.17958961  1.0
  Cl  Cl14  1  0.00000000  0.25939337  0.92755259  1.0
  Cl  Cl15  1  0.00000000  0.74060663  0.07244741  1.0
  Cl  Cl16  1  0.00000000  0.48372884  0.24109390  1.0
  Cl  Cl17  1  0.00000000  0.51627116  0.75890610  1.0
  Cl  Cl18  1  0.00000000  0.98372884  0.25890610  1.0
  Cl  Cl19  1  0.00000000  0.01627116  0.74109390  1.0
  Cl  Cl20  1  0.00000000  0.24060663  0.42755259  1.0
  Cl  Cl21  1  0.00000000  0.75939337  0.57244741  1.0