# generated using pymatgen
data_CsScBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51935200
_cell_length_b   5.52290300
_cell_length_c   5.52396809
_cell_angle_alpha   89.98971076
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsScBr3
_chemical_formula_sum   'Cs1 Sc1 Br3'
_cell_volume   168.38626430
_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
  Cs  Cs0  1  0.50000000  0.99940500  0.99425300  1.0
  Sc  Sc1  1  0.00000000  0.50346100  0.48542600  1.0
  Br  Br2  1  0.50000000  0.50435000  0.48676700  1.0
  Br  Br3  1  0.00000000  0.49931800  0.98569600  1.0
  Br  Br4  1  0.00000000  0.00347000  0.48786000  1.0