# generated using pymatgen
data_YbSc6NiBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.66914208
_cell_length_b   8.66914164
_cell_length_c   8.66914146
_cell_angle_alpha   106.58369159
_cell_angle_beta   106.58369711
_cell_angle_gamma   106.58369103
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbSc6NiBr12
_chemical_formula_sum   'Yb1 Sc6 Ni1 Br12'
_cell_volume   548.63806868
_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
  Yb  Yb0  1  0.50000000  0.50000000  0.50000000  1.0
  Sc  Sc1  1  0.09755058  0.02362516  0.30307352  1.0
  Sc  Sc2  1  0.02362516  0.30307352  0.09755058  1.0
  Sc  Sc3  1  0.30307352  0.09755058  0.02362516  1.0
  Sc  Sc4  1  0.90244842  0.97637484  0.69692648  1.0
  Sc  Sc5  1  0.97637484  0.69692648  0.90244842  1.0
  Sc  Sc6  1  0.69692648  0.90244842  0.97637484  1.0
  Ni  Ni7  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br8  1  0.07480088  0.67952240  0.22139149  1.0
  Br  Br9  1  0.67952240  0.22139149  0.07480088  1.0
  Br  Br10  1  0.22139149  0.07480088  0.67952240  1.0
  Br  Br11  1  0.92519912  0.32047760  0.77860851  1.0
  Br  Br12  1  0.32047760  0.77860851  0.92519912  1.0
  Br  Br13  1  0.77860851  0.92519912  0.32047760  1.0
  Br  Br14  1  0.44964435  0.14216169  0.37231374  1.0
  Br  Br15  1  0.14216169  0.37231374  0.44964435  1.0
  Br  Br16  1  0.37231374  0.44964435  0.14216169  1.0
  Br  Br17  1  0.55035565  0.85783831  0.62768626  1.0
  Br  Br18  1  0.85783831  0.62768626  0.55035565  1.0
  Br  Br19  1  0.62768626  0.55035565  0.85783831  1.0