data_K2SeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   6.64
_cell_length_c   6.64
_cell_angle_alpha   31.54
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2SeBr
_chemical_formula_sum   'K2 Se1 Br1'
_cell_volume   131.68
_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
  K  K1  1  0.86  0.0  0.66  1.0
  K  K2  1  0.0  0.0  0.67  1.0
  Se  Se3  1  0.0  0.0  0.34  1.0
  Br  Br0  1  0.86  0.0  0.27  1.0

data_K2SeBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   5.71
_cell_length_c   6.64
_cell_angle_alpha   90.0
_cell_angle_beta   105.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2SeBr
_chemical_formula_sum   'K2 Se1 Br1'
_cell_volume   131.68
_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
  K  K0  1  0.33  0.0  0.33  1.0
  K  K1  1  0.34  0.86  0.34  1.0
  Se  Se2  1  0.66  0.0  0.66  1.0
  Br  Br3  1  0.73  0.86  0.73  1.0

K K Se Br