data_K2RuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   6.05
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2RuBr
_chemical_formula_sum   'K2 Ru1 Br1'
_cell_volume   130.75
_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  0.08  0.03  0.78  1.0
  K  K2  1  0.04  0.0  0.78  1.0
  Ru  Ru3  1  0.29  0.03  0.86  1.0
  Br  Br0  1  0.34  0.0  0.74  1.0

data_K2RuBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   6.05
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2RuBr
_chemical_formula_sum   'K2 Ru1 Br1'
_cell_volume   130.75
_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  0.04  0.0  0.78  1.0
  K  K1  1  0.08  0.03  0.78  1.0
  Ru  Ru2  1  0.29  0.03  0.86  1.0
  Br  Br3  1  0.34  0.0  0.74  1.0

K K Ru Br
K K Ru Br 0 1 o o o 0 2 o o o 0 3 o o o 2 3 o o o 