data_GeMoSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeMoSe
_chemical_formula_sum   'Ge1 Mo1 Se1'
_cell_volume   52.18
_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
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.21  0.28  0.54  1.0
  Se  Se2  1  0.0  0.55  0.54  1.0

data_GeMoSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.42
_cell_length_c   4.42
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeMoSe
_chemical_formula_sum   'Ge1 Mo1 Se1'
_cell_volume   52.18
_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
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.54  0.21  0.28  1.0
  Se  Se2  1  0.54  0.0  0.55  1.0

Ge Mo Se
MoGeSe crystallizes in the triclinic P1 space group. Mo(1) is bonded in a 3-coordinate geometry to two equivalent Ge(1) and two equivalent Se(1) atoms. There is one shorter (1.79 Å) and one longer (2.01 Å) Mo(1)-Ge(1) bond length. There is one shorter (1.86 Å) and one longer (3.07 Å) Mo(1)-Se(1) bond length. Ge(1) is bonded in a 4-coordinate geometry to two equivalent Mo(1) and two equivalent Se(1) atoms. There is one shorter (2.43 Å) and one longer (2.60 Å) Ge(1)-Se(1) bond length. Se(1) is bonded in a 4-coordinate geometry to two equivalent Mo(1) and two equivalent Ge(1) atoms.