# generated using pymatgen
data_CsScCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.52482662
_cell_length_b   7.52482297
_cell_length_c   5.96927696
_cell_angle_alpha   89.99970901
_cell_angle_beta   90.00015791
_cell_angle_gamma   119.99977723
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsScCl3
_chemical_formula_sum   'Cs2 Sc2 Cl6'
_cell_volume   292.71577012
_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  0.66666637  0.33333369  0.25000072  1.0
  Cs  Cs1  1  0.33333356  0.66666668  0.75000018  1.0
  Sc  Sc2  1  0.00000071  0.00000144  0.00000004  1.0
  Sc  Sc3  1  0.00000008  0.00000005  0.49999958  1.0
  Cl  Cl4  1  0.16289982  0.32579954  0.25000077  1.0
  Cl  Cl5  1  0.67419979  0.83710014  0.25000008  1.0
  Cl  Cl6  1  0.16290005  0.83709987  0.25000036  1.0
  Cl  Cl7  1  0.83710035  0.16289955  0.75000067  1.0
  Cl  Cl8  1  0.83709983  0.67420002  0.74999921  1.0
  Cl  Cl9  1  0.32580045  0.16290002  0.74999938  1.0