[CIF]
data_KSc2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93293799
_cell_length_b   5.93293799
_cell_length_c   7.27181947
_cell_angle_alpha   104.82052696
_cell_angle_beta   104.82052696
_cell_angle_gamma   33.11332586
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSc2Br
_chemical_formula_sum   'K1 Sc2 Br1'
_cell_volume   134.76265782
_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
  Br  Br0  1  5.04566427  0.00000000  3.93410200  1
  K  K1  1  8.29436048  0.00000000  2.06008795  1
  Sc  Sc2  1  9.24459199  -0.00000000  5.99956602  1
  Sc  Sc3  1  0.99879806  -0.00000000  5.52653491  1
[/CIF]
