# generated using pymatgen
data_LiSm6ZnBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.28478620
_cell_length_b   9.28478569
_cell_length_c   9.28478552
_cell_angle_alpha   107.66970377
_cell_angle_beta   107.66969778
_cell_angle_gamma   107.66969020
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSm6ZnBr12
_chemical_formula_sum   'Li1 Sm6 Zn1 Br12'
_cell_volume   654.03419940
_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
  Li  Li0  1  0.50000000  0.50000000  0.50000000  1.0
  Sm  Sm1  1  0.11776991  0.33346153  0.03881361  1.0
  Sm  Sm2  1  0.33346153  0.03881461  0.11776891  1.0
  Sm  Sm3  1  0.03881461  0.11776891  0.33346253  1.0
  Sm  Sm4  1  0.96118639  0.88223109  0.66653847  1.0
  Sm  Sm5  1  0.66653847  0.96118639  0.88223109  1.0
  Sm  Sm6  1  0.88223009  0.66653847  0.96118639  1.0
  Zn  Zn7  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br8  1  0.22634278  0.68870839  0.07444755  1.0
  Br  Br9  1  0.46633390  0.38749804  0.17162887  1.0
  Br  Br10  1  0.68870939  0.07444755  0.22634278  1.0
  Br  Br11  1  0.92555345  0.77365722  0.31129161  1.0
  Br  Br12  1  0.17162887  0.46633390  0.38749804  1.0
  Br  Br13  1  0.38749804  0.17162887  0.46633390  1.0
  Br  Br14  1  0.61250196  0.82837113  0.53366710  1.0
  Br  Br15  1  0.82837213  0.53366610  0.61250196  1.0
  Br  Br16  1  0.07444755  0.22634278  0.68870939  1.0
  Br  Br17  1  0.31129161  0.92555345  0.77365722  1.0
  Br  Br18  1  0.53366610  0.61250196  0.82837213  1.0
  Br  Br19  1  0.77365722  0.31129161  0.92555245  1.0