data_K2YBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57
_cell_length_b   7.57
_cell_length_c   7.57
_cell_angle_alpha   140.51
_cell_angle_beta   140.51
_cell_angle_gamma   57.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2YBr
_chemical_formula_sum   'K2 Y1 Br1'
_cell_volume   174.15
_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  0.56  0.33  1.0
  K  K2  1  0.0  0.0  0.0  1.0
  Y  Y3  1  0.56  0.0  0.33  1.0
  Br  Br0  1  0.0  0.0  0.65  1.0

data_K2YBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   7.57
_cell_angle_alpha   109.75
_cell_angle_beta   109.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2YBr
_chemical_formula_sum   'K2 Y1 Br1'
_cell_volume   174.15
_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  0.0  1.0
  K  K1  1  0.23  0.56  0.23  1.0
  Y  Y2  1  0.67  0.0  0.23  1.0
  Br  Br3  1  0.35  0.0  0.35  1.0

K K Y Br