# generated using pymatgen
data_Cs4Sc6CCl13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.17820933
_cell_length_b   12.17820933
_cell_length_c   12.17820933
_cell_angle_alpha   100.75655219
_cell_angle_beta   100.75655219
_cell_angle_gamma   128.80907410
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs4Sc6CCl13
_chemical_formula_sum   'Cs8 Sc12 C2 Cl26'
_cell_volume   1269.29683830
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.34514200  0.34514200  0.69028300  1.0
  Cs  Cs1  1  0.65485800  0.34514200  0.00000000  1.0
  Cs  Cs2  1  0.65485800  0.65485800  0.30971700  1.0
  Cs  Cs3  1  0.59514200  0.40485800  0.50000000  1.0
  Cs  Cs4  1  0.90485800  0.09514200  0.50000000  1.0
  Cs  Cs5  1  0.34514200  0.65485800  0.00000000  1.0
  Cs  Cs6  1  0.59514200  0.09514200  0.19028300  1.0
  Cs  Cs7  1  0.90485800  0.40485800  0.80971700  1.0
  Sc  Sc8  1  0.00175600  0.14629800  0.14454100  1.0
  Sc  Sc9  1  0.39629800  0.75175600  0.64454100  1.0
  Sc  Sc10  1  0.10721500  0.75175600  0.35545900  1.0
  Sc  Sc11  1  0.21374000  0.21374000  0.00000000  1.0
  Sc  Sc12  1  0.00175600  0.85721500  0.85545900  1.0
  Sc  Sc13  1  0.03626000  0.53626000  0.50000000  1.0
  Sc  Sc14  1  0.46374000  0.96374000  0.50000000  1.0
  Sc  Sc15  1  0.85370200  0.99824400  0.85545900  1.0
  Sc  Sc16  1  0.78626000  0.78626000  0.00000000  1.0
  Sc  Sc17  1  0.14278500  0.99824400  0.14454100  1.0
  Sc  Sc18  1  0.24824400  0.60370200  0.35545900  1.0
  Sc  Sc19  1  0.24824400  0.89278500  0.64454100  1.0
  C  C20  1  0.00000000  0.00000000  0.00000000  1.0
  C  C21  1  0.25000000  0.75000000  0.50000000  1.0
  Cl  Cl22  1  0.75396700  0.92050100  0.16653400  1.0
  Cl  Cl23  1  0.83521000  0.16479000  0.00000000  1.0
  Cl  Cl24  1  0.16479000  0.83521000  0.00000000  1.0
  Cl  Cl25  1  0.24745200  0.08103200  0.83358000  1.0
  Cl  Cl26  1  0.49603300  0.82949900  0.33346600  1.0
  Cl  Cl27  1  0.41256700  0.24603300  0.16653400  1.0
  Cl  Cl28  1  0.58612800  0.75254800  0.83358000  1.0
  Cl  Cl29  1  0.91896800  0.75254800  0.16642000  1.0
  Cl  Cl30  1  0.66387200  0.99745200  0.66642000  1.0
  Cl  Cl31  1  0.41479000  0.91479000  0.82958000  1.0
  Cl  Cl32  1  0.24745200  0.41387200  0.16642000  1.0
  Cl  Cl33  1  0.00254800  0.66896800  0.66642000  1.0
  Cl  Cl34  1  0.49603300  0.16256700  0.66653400  1.0
  Cl  Cl35  1  0.83521000  0.83521000  0.67042000  1.0
  Cl  Cl36  1  0.41479000  0.58521000  0.50000000  1.0
  Cl  Cl37  1  0.07949900  0.24603300  0.83346600  1.0
  Cl  Cl38  1  0.75000000  0.25000000  0.50000000  1.0
  Cl  Cl39  1  0.17050100  0.50396700  0.66653400  1.0
  Cl  Cl40  1  0.00254800  0.33612800  0.33358000  1.0
  Cl  Cl41  1  0.16479000  0.16479000  0.32958000  1.0
  Cl  Cl42  1  0.08521000  0.58521000  0.17042000  1.0
  Cl  Cl43  1  0.75396700  0.58743300  0.83346600  1.0
  Cl  Cl44  1  0.08521000  0.91479000  0.50000000  1.0
  Cl  Cl45  1  0.33103200  0.99745200  0.33358000  1.0
  Cl  Cl46  1  0.83743300  0.50396700  0.33346600  1.0
  Cl  Cl47  1  0.50000000  0.50000000  0.00000000  1.0