The material structure described by In(Mo3Se4)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 3-coordinate geometry to one Mo(3), one Se(1), one Se(2), and one Se(4) atom. In the second Mo site, Mo(2) is bonded in a 3-coordinate geometry to one Mo(3), one Se(2), one Se(3), and one Se(4) atom. In the third Mo site, Mo(3) is bonded in a 7-coordinate geometry to one Mo(1), one Mo(2), one Se(1), one Se(2), one Se(4), and two equivalent Se(3) atoms. In(1) is bonded in a 4-coordinate geometry to two equivalent Se(3) and two equivalent Se(4) atoms. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one Mo(3) atom. In the second Se site, Se(2) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the third Se site, Se(3) is bonded in a 2-coordinate geometry to one Mo(2), two equivalent Mo(3), and one In(1) atom. In the fourth Se site, Se(4) is bonded in a 4-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), and one In(1) atom. is represented by the CIF card [CIF]
data_In(Mo3Se4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.594
_cell_length_b   7.911
_cell_length_c   7.911
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   303.133
_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
  In  In0  1  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.561  0.579  0.760  1.0
  Mo  Mo2  1  0.240  0.439  0.579  1.0
  Mo  Mo3  1  0.421  0.760  0.439  1.0
  Mo  Mo4  1  0.439  0.421  0.240  1.0
  Mo  Mo5  1  0.760  0.561  0.421  1.0
  Mo  Mo6  1  0.579  0.240  0.561  1.0
  Se  Se7  1  0.385  0.257  0.879  1.0
  Se  Se8  1  0.121  0.615  0.257  1.0
  Se  Se9  1  0.743  0.879  0.615  1.0
  Se  Se10  1  0.615  0.743  0.121  1.0
  Se  Se11  1  0.879  0.385  0.743  1.0
  Se  Se12  1  0.257  0.121  0.385  1.0
  Se  Se13  1  0.244  0.756  0.756  1.0
  Se  Se14  1  0.756  0.244  0.244  1.0
[/CIF]
.
The material structure described by In(Mo3Se4)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 3-coordinate geometry to one Mo(3), one Se(1), one Se(2), and one Se(4) atom. In the second Mo site, Mo(2) is bonded in a 3-coordinate geometry to one Mo(3), one Se(2), one Se(3), and one Se(4) atom. In the third Mo site, Mo(3) is bonded in a 7-coordinate geometry to one Mo(1), one Mo(2), one Se(1), one Se(2), one Se(4), and two equivalent Se(3) atoms. In(1) is bonded in a 4-coordinate geometry to two equivalent Se(3) and two equivalent Se(4) atoms. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one Mo(3) atom. In the second Se site, Se(2) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the third Se site, Se(3) is bonded in a 2-coordinate geometry to one Mo(2), two equivalent Mo(3), and one In(1) atom. In the fourth Se site, Se(4) is bonded in a 4-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), and one In(1) atom. is represented by the CIF card [CIF]
data_In(Mo3Se4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.594
_cell_length_b   7.911
_cell_length_c   7.911
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   303.133
_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
  In  In0  1  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.561  0.579  0.760  1.0
  Mo  Mo2  1  0.240  0.439  0.579  1.0
  Mo  Mo3  1  0.421  0.760  0.439  1.0
  Mo  Mo4  1  0.439  0.421  0.240  1.0
  Mo  Mo5  1  0.760  0.561  0.421  1.0
  Mo  Mo6  1  0.579  0.240  0.561  1.0
  Se  Se7  1  0.385  0.257  0.879  1.0
  Se  Se8  1  0.121  0.615  0.257  1.0
  Se  Se9  1  0.743  0.879  0.615  1.0
  Se  Se10  1  0.615  0.743  0.121  1.0
  Se  Se11  1  0.879  0.385  0.743  1.0
  Se  Se12  1  0.257  0.121  0.385  1.0
  Se  Se13  1  0.244  0.756  0.756  1.0
  Se  Se14  1  0.756  0.244  0.244  1.0
[/CIF]
.