# generated using pymatgen
data_CrNiBr18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.82683012
_cell_length_b   8.82683085
_cell_length_c   8.82683097
_cell_angle_alpha   89.89260190
_cell_angle_beta   89.89259636
_cell_angle_gamma   89.89260343
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNiBr18
_chemical_formula_sum   'Cr1 Ni1 Br18'
_cell_volume   687.72069947
_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
  Cr  Cr0  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni1  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br2  1  0.72017259  0.99997656  0.02094358  1.0
  Br  Br3  1  0.76167475  0.12409320  0.60647257  1.0
  Br  Br4  1  0.02094358  0.72017259  0.99997656  1.0
  Br  Br5  1  0.23832525  0.87590680  0.39352743  1.0
  Br  Br6  1  0.12409320  0.60647257  0.76167475  1.0
  Br  Br7  1  0.00002344  0.97905642  0.27982741  1.0
  Br  Br8  1  0.60647257  0.76167475  0.12409320  1.0
  Br  Br9  1  0.97905642  0.27982741  0.00002344  1.0
  Br  Br10  1  0.87590680  0.39352743  0.23832525  1.0
  Br  Br11  1  0.39352743  0.23832525  0.87590680  1.0
  Br  Br12  1  0.99997656  0.02094358  0.72017259  1.0
  Br  Br13  1  0.27982741  0.00002344  0.97905642  1.0
  Br  Br14  1  0.78004199  0.54053840  0.47445512  1.0
  Br  Br15  1  0.52554488  0.21995801  0.45946160  1.0
  Br  Br16  1  0.45946160  0.52554488  0.21995801  1.0
  Br  Br17  1  0.47445512  0.78004199  0.54053840  1.0
  Br  Br18  1  0.54053840  0.47445512  0.78004199  1.0
  Br  Br19  1  0.21995801  0.45946160  0.52554488  1.0