data_AgMo2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   145.99
_cell_angle_beta   129.51
_cell_angle_gamma   62.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgMo2Se
_chemical_formula_sum   'Ag1 Mo2 Se1'
_cell_volume   66.89
_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
  Ag  Ag0  1  0.0  0.0  0.61  1.0
  Mo  Mo1  1  0.0  0.3  0.58  1.0
  Mo  Mo2  1  0.58  0.0  0.03  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_AgMo2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.6
_cell_length_c   5.39
_cell_angle_alpha   115.25
_cell_angle_beta   107.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgMo2Se
_chemical_formula_sum   'Ag1 Mo2 Se1'
_cell_volume   66.89
_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
  Ag  Ag0  1  0.39  0.39  0.39  1.0
  Mo  Mo1  1  0.42  0.71  0.71  1.0
  Mo  Mo2  1  0.55  0.97  0.55  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Ag Mo Mo Se
Mo2AgSe crystallizes in the triclinic P1 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to one Mo(2), one Ag(1), and two equivalent Se(1) atoms. The Mo(1)-Mo(2) bond length is 1.87 Å. The Mo(1)-Ag(1) bond length is 1.74 Å. There is one shorter (2.03 Å) and one longer (2.30 Å) Mo(1)-Se(1) bond length. In the second Mo site, Mo(2) is bonded in a 5-coordinate geometry to one Mo(1), two equivalent Ag(1), and two equivalent Se(1) atoms. There is one shorter (2.41 Å) and one longer (2.45 Å) Mo(2)-Ag(1) bond length. There is one shorter (2.38 Å) and one longer (3.01 Å) Mo(2)-Se(1) bond length. Ag(1) is bonded in a 2-coordinate geometry to one Mo(1), two equivalent Mo(2), and one Se(1) atom. The Ag(1)-Se(1) bond length is 2.08 Å. Se(1) is bonded in a 3-coordinate geometry to two equivalent Mo(1), two equivalent Mo(2), and one Ag(1) atom.