data_Sr2MoSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   5.54
_cell_angle_alpha   108.26
_cell_angle_beta   108.26
_cell_angle_gamma   32.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MoSe
_chemical_formula_sum   'Sr2 Mo1 Se1'
_cell_volume   109.89
_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
  Sr  Sr2  1  0.29  0.0  0.35  1.0
  Sr  Sr3  1  0.47  0.0  0.72  1.0
  Mo  Mo0  1  0.4  0.0  0.5  1.0
  Se  Se1  1  0.99  0.0  0.28  1.0

data_Sr2MoSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   5.54
_cell_length_c   6.21
_cell_angle_alpha   108.26
_cell_angle_beta   106.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MoSe
_chemical_formula_sum   'Sr2 Mo1 Se1'
_cell_volume   109.89
_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
  Sr  Sr0  1  0.0  0.35  0.29  1.0
  Sr  Sr1  1  0.0  0.72  0.47  1.0
  Mo  Mo2  1  0.0  0.5  0.4  1.0
  Se  Se3  1  0.0  0.28  0.99  1.0

Sr Sr Mo Se
Sr Sr Mo Se 0 2 o o o 0 3 - o o 1 2 o o o 
Sr2MoSe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Sr2MoSe cluster. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one Se(1) atom. The Sr(1)-Mo(1) bond length is 0.89 Å. The Sr(1)-Se(1) bond length is 1.77 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 1.15 Å. Mo(1) is bonded in a bent 150 degrees geometry to one Sr(1) and one Sr(2) atom. Se(1) is bonded in a single-bond geometry to one Sr(1) atom.