data_KSr2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   3.95
_cell_length_c   10.59
_cell_angle_alpha   90.0
_cell_angle_beta   91.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSr2Mo
_chemical_formula_sum   'K1 Sr2 Mo1'
_cell_volume   164.3
_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
  Sr  Sr2  1  0.78  0.98  0.16  1.0
  Sr  Sr3  1  0.86  0.98  0.42  1.0
  Mo  Mo1  1  0.85  0.0  0.29  1.0

data_KSr2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   3.95
_cell_length_c   10.59
_cell_angle_alpha   90.0
_cell_angle_beta   91.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSr2Mo
_chemical_formula_sum   'K1 Sr2 Mo1'
_cell_volume   164.3
_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
  Sr  Sr1  1  0.78  0.98  0.16  1.0
  Sr  Sr2  1  0.86  0.98  0.42  1.0
  Mo  Mo3  1  0.85  0.0  0.29  1.0

K Sr Sr Mo
K Sr Sr Mo 0 1 - - o 1 3 o + o 2 3 o + o 
KSr2Mo crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one KSr2Mo cluster. K(1) is bonded in a single-bond geometry to one Sr(1) atom. The K(1)-Sr(1) bond length is 1.98 Å. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted single-bond geometry to one K(1) and one Mo(1) atom. The Sr(1)-Mo(1) bond length is 1.38 Å. In the second Sr site, Sr(2) is bonded in a single-bond geometry to one Mo(1) atom. The Sr(2)-Mo(1) bond length is 1.36 Å. Mo(1) is bonded in a linear geometry to one Sr(1) and one Sr(2) atom.