data_KMnRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   2.71
_cell_length_c   9.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnRu2
_chemical_formula_sum   'K1 Mn1 Ru2'
_cell_volume   64.68
_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  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.0  0.92  1.0
  Ru  Ru2  1  0.42  0.0  0.94  1.0
  Ru  Ru3  1  0.42  0.0  0.91  1.0

data_KMnRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   2.71
_cell_length_c   9.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnRu2
_chemical_formula_sum   'K1 Mn1 Ru2'
_cell_volume   64.68
_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  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.0  0.92  1.0
  Ru  Ru2  1  0.42  0.0  0.91  1.0
  Ru  Ru3  1  0.42  0.0  0.94  1.0

K Mn Ru Ru