# generated using pymatgen
data_Sc7CBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.03310200
_cell_length_b   11.36052100
_cell_length_c   11.36052144
_cell_angle_alpha   120.00000164
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc7CBr12
_chemical_formula_sum   'Sc7 C1 Br12'
_cell_volume   897.86371349
_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
  Sc  Sc0  1  0.47821900  0.47821900  0.52178100  1.0
  Sc  Sc1  1  0.97771600  0.71394800  0.08948900  1.0
  Sc  Sc2  1  0.71394800  0.91051100  0.02228400  1.0
  Sc  Sc3  1  0.91051100  0.97771600  0.28605200  1.0
  Sc  Sc4  1  0.29470200  0.10390000  0.96103400  1.0
  Sc  Sc5  1  0.10390000  0.03896600  0.70529800  1.0
  Sc  Sc6  1  0.03896600  0.29470200  0.89610000  1.0
  C  C7  1  0.00057000  0.00057000  0.99943000  1.0
  Br  Br8  1  0.07690900  0.69496200  0.77298700  1.0
  Br  Br9  1  0.69496200  0.22701300  0.92309100  1.0
  Br  Br10  1  0.22701300  0.07690900  0.30503800  1.0
  Br  Br11  1  0.84163800  0.61958100  0.45411200  1.0
  Br  Br12  1  0.61958100  0.54588800  0.15836200  1.0
  Br  Br13  1  0.54588800  0.84163800  0.38041900  1.0
  Br  Br14  1  0.31101800  0.78095300  0.07462700  1.0
  Br  Br15  1  0.78095300  0.92537300  0.68898200  1.0
  Br  Br16  1  0.92537300  0.31101800  0.21904700  1.0
  Br  Br17  1  0.46600300  0.14904900  0.61271900  1.0
  Br  Br18  1  0.14904900  0.38728100  0.53399700  1.0
  Br  Br19  1  0.38728100  0.46600300  0.85095100  1.0