# generated using pymatgen
data_Er2Lu2BCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75559646
_cell_length_b   12.33415715
_cell_length_c   12.77410056
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2Lu2BCl6
_chemical_formula_sum   'Er4 Lu4 B2 Cl12'
_cell_volume   591.72338003
_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  0.50000000  0.12695158  0.85083405  1.0
  Er  Er1  1  0.50000000  0.87304842  0.14916595  1.0
  Er  Er2  1  0.50000000  0.62695158  0.64916595  1.0
  Er  Er3  1  0.50000000  0.37304842  0.35083405  1.0
  Lu  Lu4  1  0.00000000  0.10448154  0.08293575  1.0
  Lu  Lu5  1  0.00000000  0.89551846  0.91706425  1.0
  Lu  Lu6  1  0.00000000  0.60448154  0.41706425  1.0
  Lu  Lu7  1  0.00000000  0.39551846  0.58293575  1.0
  B  B8  1  0.50000000  0.00000000  0.00000000  1.0
  B  B9  1  0.50000000  0.50000000  0.50000000  1.0
  Cl  Cl10  1  0.50000000  0.26974673  0.68170309  1.0
  Cl  Cl11  1  0.50000000  0.73025327  0.31829691  1.0
  Cl  Cl12  1  0.50000000  0.76974673  0.81829691  1.0
  Cl  Cl13  1  0.50000000  0.23025327  0.18170309  1.0
  Cl  Cl14  1  0.00000000  0.25943085  0.93204482  1.0
  Cl  Cl15  1  0.00000000  0.74056915  0.06795518  1.0
  Cl  Cl16  1  0.00000000  0.48130457  0.24111470  1.0
  Cl  Cl17  1  0.00000000  0.51869543  0.75888530  1.0
  Cl  Cl18  1  0.00000000  0.98130457  0.25888530  1.0
  Cl  Cl19  1  0.00000000  0.01869543  0.74111470  1.0
  Cl  Cl20  1  0.00000000  0.24056915  0.43204482  1.0
  Cl  Cl21  1  0.00000000  0.75943085  0.56795518  1.0