data_KBi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   3.48
_cell_length_c   9.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBi2Ru
_chemical_formula_sum   'K1 Bi2 Ru1'
_cell_volume   115.7
_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  K2  1  0.26  0.0  0.53  1.0
  Bi  Bi0  1  0.32  0.0  0.61  1.0
  Bi  Bi1  1  0.45  0.74  0.84  1.0
  Ru  Ru3  1  0.14  0.74  0.93  1.0

data_KBi2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   3.63
_cell_length_c   9.17
_cell_angle_alpha   90.71
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBi2Ru
_chemical_formula_sum   'K1 Bi2 Ru1'
_cell_volume   115.7
_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  0.74  0.47  1.0
  Bi  Bi1  1  0.0  0.68  0.39  1.0
  Bi  Bi2  1  0.26  0.55  0.16  1.0
  Ru  Ru3  1  0.26  0.86  0.07  1.0

K Bi Bi Ru
K Bi Bi Ru 0 1 o o o 2 3 o o o 