# generated using pymatgen
data_YbSm6NiBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.28100381
_cell_length_b   9.28100341
_cell_length_c   9.28100322
_cell_angle_alpha   106.90218551
_cell_angle_beta   106.90219450
_cell_angle_gamma   106.90218782
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbSm6NiBr12
_chemical_formula_sum   'Yb1 Sm6 Ni1 Br12'
_cell_volume   667.54809149
_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
  Sm  Sm1  1  0.10641725  0.02501636  0.31175934  1.0
  Sm  Sm2  1  0.02501636  0.31175934  0.10641725  1.0
  Sm  Sm3  1  0.31175934  0.10641725  0.02501636  1.0
  Sm  Sm4  1  0.89358175  0.97498364  0.68824066  1.0
  Sm  Sm5  1  0.97498364  0.68824066  0.89358175  1.0
  Sm  Sm6  1  0.68824066  0.89358175  0.97498364  1.0
  Ni  Ni7  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br8  1  0.07306358  0.68008585  0.22213353  1.0
  Br  Br9  1  0.68008585  0.22213353  0.07306358  1.0
  Br  Br10  1  0.22213353  0.07306358  0.68008585  1.0
  Br  Br11  1  0.92693642  0.31991415  0.77786647  1.0
  Br  Br12  1  0.31991415  0.77786647  0.92693642  1.0
  Br  Br13  1  0.77786647  0.92693642  0.31991415  1.0
  Br  Br14  1  0.46278965  0.16462784  0.38069746  1.0
  Br  Br15  1  0.16462784  0.38069746  0.46278965  1.0
  Br  Br16  1  0.38069746  0.46278965  0.16462784  1.0
  Br  Br17  1  0.53721035  0.83537216  0.61930254  1.0
  Br  Br18  1  0.83537216  0.61930254  0.53721035  1.0
  Br  Br19  1  0.61930254  0.53721035  0.83537216  1.0