# generated using pymatgen
data_Sc7BCl12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13956336
_cell_length_b   8.13957958
_cell_length_c   8.13961001
_cell_angle_alpha   107.39955238
_cell_angle_beta   107.39944573
_cell_angle_gamma   107.39965540
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc7BCl12
_chemical_formula_sum   'Sc7 B1 Cl12'
_cell_volume   444.12375088
_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  0.49999915  0.49999939  0.50000035  1.0
  Sc  Sc1  1  0.02909277  0.31109564  0.10358148  1.0
  Sc  Sc2  1  0.31109605  0.10358491  0.02909048  1.0
  Sc  Sc3  1  0.10357847  0.02909130  0.31109080  1.0
  Sc  Sc4  1  0.97091600  0.68890169  0.89642382  1.0
  Sc  Sc5  1  0.68890427  0.89641760  0.97090662  1.0
  Sc  Sc6  1  0.89642017  0.97091215  0.68890410  1.0
  B  B7  1  -0.00000427  -0.00000269  -0.00000321  1.0
  Cl  Cl8  1  0.92449855  0.31557675  0.77639400  1.0
  Cl  Cl9  1  0.31557670  0.77639513  0.92450047  1.0
  Cl  Cl10  1  0.77639525  0.92449968  0.31557503  1.0
  Cl  Cl11  1  0.07550352  0.68442316  0.22361282  1.0
  Cl  Cl12  1  0.68442174  0.22360402  0.07550008  1.0
  Cl  Cl13  1  0.22360648  0.07550159  0.68442262  1.0
  Cl  Cl14  1  0.38440971  0.46284490  0.15711488  1.0
  Cl  Cl15  1  0.46284172  0.15711359  0.38440869  1.0
  Cl  Cl16  1  0.15711230  0.38441089  0.46284109  1.0
  Cl  Cl17  1  0.61558857  0.53715497  0.84288627  1.0
  Cl  Cl18  1  0.53715627  0.84288664  0.61558845  1.0
  Cl  Cl19  1  0.84288657  0.61558869  0.53716116  1.0