# generated using pymatgen
data_Er4CBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82021578
_cell_length_b   12.75218888
_cell_length_c   13.18078480
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er4CBr6
_chemical_formula_sum   'Er8 C2 Br12'
_cell_volume   642.11660434
_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  0.09771829  0.07846658  1.0
  Er  Er1  1  0.00000000  0.90228171  0.92153342  1.0
  Er  Er2  1  0.00000000  0.59771829  0.42153342  1.0
  Er  Er3  1  0.00000000  0.40228171  0.57846658  1.0
  Er  Er4  1  0.50000000  0.12094434  0.85880956  1.0
  Er  Er5  1  0.50000000  0.87905566  0.14119044  1.0
  Er  Er6  1  0.50000000  0.62094434  0.64119044  1.0
  Er  Er7  1  0.50000000  0.37905566  0.35880956  1.0
  C  C8  1  0.50000000  0.00000000  0.00000000  1.0
  C  C9  1  0.50000000  0.50000000  0.50000000  1.0
  Br  Br10  1  0.50000000  0.26875792  0.68353721  1.0
  Br  Br11  1  0.50000000  0.73124208  0.31646279  1.0
  Br  Br12  1  0.50000000  0.76875792  0.81646279  1.0
  Br  Br13  1  0.50000000  0.23124208  0.18353721  1.0
  Br  Br14  1  0.00000000  0.26413113  0.93434112  1.0
  Br  Br15  1  0.00000000  0.73586887  0.06565888  1.0
  Br  Br16  1  0.00000000  0.48221688  0.23650872  1.0
  Br  Br17  1  0.00000000  0.51778312  0.76349128  1.0
  Br  Br18  1  0.00000000  0.98221688  0.26349128  1.0
  Br  Br19  1  0.00000000  0.01778312  0.73650872  1.0
  Br  Br20  1  0.00000000  0.23586887  0.43434112  1.0
  Br  Br21  1  0.00000000  0.76413113  0.56565888  1.0