# generated using pymatgen
data_ErNiBr18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.07417763
_cell_length_b   8.94109444
_cell_length_c   9.01633966
_cell_angle_alpha   92.63588733
_cell_angle_beta   93.27871578
_cell_angle_gamma   92.67006628
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErNiBr18
_chemical_formula_sum   'Er1 Ni1 Br18'
_cell_volume   728.66443335
_cell_formula_units_Z   1
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  0.50000000  0.50000000  1.0
  Ni  Ni1  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br2  1  0.80674120  0.49251119  0.52929112  1.0
  Br  Br3  1  0.51009011  0.80213857  0.46291867  1.0
  Br  Br4  1  0.47197007  0.52397771  0.80426420  1.0
  Br  Br5  1  0.19325880  0.50748881  0.47070888  1.0
  Br  Br6  1  0.48990989  0.19786143  0.53708133  1.0
  Br  Br7  1  0.52802993  0.47602229  0.19573580  1.0
  Br  Br8  1  0.90766088  0.36636094  0.76097626  1.0
  Br  Br9  1  0.75876335  0.91253290  0.36233689  1.0
  Br  Br10  1  0.36371447  0.76485162  0.91411722  1.0
  Br  Br11  1  0.09233912  0.63363906  0.23902374  1.0
  Br  Br12  1  0.24123665  0.08746710  0.63766311  1.0
  Br  Br13  1  0.63628553  0.23514838  0.08588278  1.0
  Br  Br14  1  0.01351666  0.96088264  0.71812073  1.0
  Br  Br15  1  0.72936187  0.00752320  0.95424158  1.0
  Br  Br16  1  0.96497470  0.73291020  0.00802847  1.0
  Br  Br17  1  0.98648334  0.03911736  0.28187927  1.0
  Br  Br18  1  0.27063813  0.99247680  0.04575842  1.0
  Br  Br19  1  0.03502530  0.26708980  0.99197153  1.0