# generated using pymatgen
data_CsScBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03999100
_cell_length_b   9.89068300
_cell_length_c   16.90108000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsScBr3
_chemical_formula_sum   'Cs4 Sc4 Br12'
_cell_volume   675.33792307
_cell_formula_units_Z   4
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  0.25000000  0.06264100  0.16991100  1.0
  Cs  Cs1  1  0.75000000  0.93735900  0.83008900  1.0
  Cs  Cs2  1  0.25000000  0.56264100  0.33008900  1.0
  Cs  Cs3  1  0.75000000  0.43735900  0.66991100  1.0
  Sc  Sc4  1  0.75000000  0.12774300  0.45243100  1.0
  Sc  Sc5  1  0.25000000  0.87225700  0.54756900  1.0
  Sc  Sc6  1  0.75000000  0.62774300  0.04756900  1.0
  Sc  Sc7  1  0.25000000  0.37225700  0.95243100  1.0
  Br  Br8  1  0.25000000  0.30843500  0.49948100  1.0
  Br  Br9  1  0.75000000  0.69156500  0.50051900  1.0
  Br  Br10  1  0.25000000  0.80843500  0.00051900  1.0
  Br  Br11  1  0.75000000  0.19156500  0.99948100  1.0
  Br  Br12  1  0.75000000  0.03749300  0.60516200  1.0
  Br  Br13  1  0.25000000  0.96250700  0.39483800  1.0
  Br  Br14  1  0.75000000  0.53749300  0.89483800  1.0
  Br  Br15  1  0.25000000  0.46250700  0.10516200  1.0
  Br  Br16  1  0.75000000  0.25657600  0.30860500  1.0
  Br  Br17  1  0.25000000  0.74342400  0.69139500  1.0
  Br  Br18  1  0.75000000  0.75657600  0.19139500  1.0
  Br  Br19  1  0.25000000  0.24342400  0.80860500  1.0