data_KY2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66
_cell_length_b   3.66
_cell_length_c   10.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KY2Br
_chemical_formula_sum   'K1 Y2 Br1'
_cell_volume   137.56
_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  0.0  0.0  0.16  1.0
  Y  Y2  1  0.1  0.0  0.5  1.0
  Y  Y3  1  0.0  0.0  0.92  1.0
  Br  Br0  1  0.1  0.0  0.71  1.0

data_KY2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   3.66
_cell_length_c   10.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KY2Br
_chemical_formula_sum   'K1 Y2 Br1'
_cell_volume   137.56
_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  0.0  0.0  0.16  1.0
  Y  Y1  1  0.0  0.0  0.92  1.0
  Y  Y2  1  0.1  0.0  0.5  1.0
  Br  Br3  1  0.1  0.0  0.71  1.0

K Y Y Br