data_Sr4Mo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.21
_cell_length_b   9.21
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4Mo5
_chemical_formula_sum   'Sr8 Mo10'
_cell_volume   409.18
_cell_formula_units_Z   2
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
  Sr  Sr10  1  0.0  0.0  0.79  1.0
  Sr  Sr11  1  0.0  0.0  0.0  1.0
  Sr  Sr12  1  0.34  0.33  0.18  1.0
  Sr  Sr13  1  0.52  0.0  0.18  1.0
  Sr  Sr14  1  0.74  0.65  0.18  1.0
  Sr  Sr15  1  0.26  0.65  0.39  1.0
  Sr  Sr16  1  0.69  0.0  0.39  1.0
  Sr  Sr17  1  0.66  0.33  0.39  1.0
  Mo  Mo0  1  0.64  0.58  0.18  1.0
  Mo  Mo1  1  0.93  0.0  0.18  1.0
  Mo  Mo2  1  0.04  0.4  0.18  1.0
  Mo  Mo3  1  0.96  0.4  0.39  1.0
  Mo  Mo4  1  0.28  0.0  0.39  1.0
  Mo  Mo5  1  0.36  0.58  0.39  1.0
  Mo  Mo6  1  0.0  0.32  0.79  1.0
  Mo  Mo7  1  0.6  0.66  0.0  1.0
  Mo  Mo8  1  0.6  0.66  0.79  1.0
  Mo  Mo9  1  0.0  0.32  0.0  1.0

data_Sr4Mo5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.57
_cell_length_b   9.21
_cell_length_c   9.21
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4Mo5
_chemical_formula_sum   'Sr8 Mo10'
_cell_volume   409.18
_cell_formula_units_Z   2
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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Sr  Sr1  1  0.18  0.34  0.33  1.0
  Sr  Sr2  1  0.18  0.52  0.0  1.0
  Sr  Sr3  1  0.18  0.74  0.65  1.0
  Sr  Sr4  1  0.39  0.26  0.65  1.0
  Sr  Sr5  1  0.39  0.66  0.33  1.0
  Sr  Sr6  1  0.39  0.69  0.0  1.0
  Sr  Sr7  1  0.79  0.0  0.0  1.0
  Mo  Mo8  1  0.0  0.0  0.32  1.0
  Mo  Mo9  1  0.0  0.6  0.66  1.0
  Mo  Mo10  1  0.18  0.04  0.4  1.0
  Mo  Mo11  1  0.18  0.64  0.58  1.0
  Mo  Mo12  1  0.18  0.93  0.0  1.0
  Mo  Mo13  1  0.39  0.28  0.0  1.0
  Mo  Mo14  1  0.39  0.36  0.58  1.0
  Mo  Mo15  1  0.39  0.96  0.4  1.0
  Mo  Mo16  1  0.79  0.0  0.32  1.0
  Mo  Mo17  1  0.79  0.6  0.66  1.0

Sr Sr Sr Sr Sr Sr Sr Sr Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo
Sr4Mo5 crystallizes in the triclinic P1 space group. There are eight inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to one Sr(2), one Mo(2), one Mo(5), one Mo(7), and one Mo(9) atom. The Sr(1)-Sr(2) bond length is 1.20 Å. The Sr(1)-Mo(2) bond length is 3.45 Å. The Sr(1)-Mo(5) bond length is 3.40 Å. The Sr(1)-Mo(7) bond length is 2.92 Å. The Sr(1)-Mo(9) bond length is 3.42 Å. In the second Sr site, Sr(2) is bonded in a single-bond geometry to one Sr(1), one Mo(2), and one Mo(5) atom. The Sr(2)-Mo(2) bond length is 1.20 Å. The Sr(2)-Mo(5) bond length is 3.40 Å. In the third Sr site, Sr(3) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(5), and one Mo(6) atom. The Sr(3)-Mo(1) bond length is 2.55 Å. The Sr(3)-Mo(5) bond length is 3.02 Å. The Sr(3)-Mo(6) bond length is 2.53 Å. In the fourth Sr site, Sr(4) is bonded in a 2-coordinate geometry to one Sr(7) and one Mo(5) atom. The Sr(4)-Sr(7) bond length is 1.92 Å. The Sr(4)-Mo(5) bond length is 2.51 Å. In the fifth Sr site, Sr(5) is bonded in a single-bond geometry to one Mo(1) and one Mo(8) atom. The Sr(5)-Mo(1) bond length is 0.81 Å. The Sr(5)-Mo(8) bond length is 1.62 Å. In the sixth Sr site, Sr(6) is bonded in a single-bond geometry to one Mo(3), one Mo(4), one Mo(5), and one Mo(6) atom. The Sr(6)-Mo(3) bond length is 2.49 Å. The Sr(6)-Mo(4) bond length is 2.55 Å. The Sr(6)-Mo(5) bond length is 3.14 Å. The Sr(6)-Mo(6) bond length is 1.37 Å. In the seventh Sr site, Sr(7) is bonded in a 1-coordinate geometry to one Sr(4), one Mo(2), and one Mo(4) atom. The Sr(7)-Mo(2) bond length is 2.51 Å. The Sr(7)-Mo(4) bond length is 3.27 Å. In the eighth Sr site, Sr(8) is bonded in a 2-coordinate geometry to one Mo(1), one Mo(4), and one Mo(5) atom. The Sr(8)-Mo(1) bond length is 2.65 Å. The Sr(8)-Mo(4) bond length is 2.55 Å. The Sr(8)-Mo(5) bond length is 3.25 Å. There are ten inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a single-bond geometry to one Sr(3), one Sr(5), one Sr(8), and one Mo(8) atom. The Mo(1)-Mo(8) bond length is 1.40 Å. In the second Mo site, Mo(2) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(2), and one Sr(7) atom. In the third Mo site, Mo(3) is bonded in a 3-coordinate geometry to one Sr(6), one Mo(10), and one Mo(4) atom. The Mo(3)-Mo(10) bond length is 1.19 Å. The Mo(3)-Mo(4) bond length is 1.37 Å. In the fourth Mo site, Mo(4) is bonded in a 5-coordinate geometry to one Sr(6), one Sr(7), one Sr(8), one Mo(3), and one Mo(7) atom. The Mo(4)-Mo(7) bond length is 2.40 Å. In the fifth Mo site, Mo(5) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Sr(6), and one Sr(8) atom. In the sixth Mo site, Mo(6) is bonded in a distorted single-bond geometry to one Sr(3) and one Sr(6) atom. In the seventh Mo site, Mo(7) is bonded in a 2-coordinate geometry to one Sr(1), one Mo(10), and one Mo(4) atom. The Mo(7)-Mo(10) bond length is 1.20 Å. In the eighth Mo site, Mo(8) is bonded in a 3-coordinate geometry to one Sr(5), one Mo(1), and one Mo(9) atom. The Mo(8)-Mo(9) bond length is 1.20 Å. In the ninth Mo site, Mo(9) is bonded in a distorted single-bond geometry to one Sr(1) and one Mo(8) atom. In the tenth Mo site, Mo(10) is bonded in a distorted bent 150 degrees geometry to one Mo(3) and one Mo(7) atom.