data_MnV2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   3.01
_cell_angle_alpha   93.77
_cell_angle_beta   93.77
_cell_angle_gamma   102.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnV2Se
_chemical_formula_sum   'Mn1 V2 Se1'
_cell_volume   52.64
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  V  V2  1  0.17  0.65  0.5  1.0
  V  V3  1  0.17  0.35  0.5  1.0
  Se  Se1  1  0.66  0.0  0.0  1.0

data_MnV2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.24
_cell_length_c   4.24
_cell_angle_alpha   102.12
_cell_angle_beta   93.77
_cell_angle_gamma   93.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnV2Se
_chemical_formula_sum   'Mn1 V2 Se1'
_cell_volume   52.64
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.5  0.17  0.35  1.0
  V  V2  1  0.5  0.17  0.65  1.0
  Se  Se3  1  -0.0  0.66  0.0  1.0

Mn V V Se
V2MnSe crystallizes in the triclinic P1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one V(2), two equivalent Mn(1), and two equivalent Se(1) atoms. The V(1)-V(2) bond length is 1.26 Å. There is one shorter (2.32 Å) and one longer (2.37 Å) V(1)-Mn(1) bond length. There is one shorter (2.61 Å) and one longer (2.86 Å) V(1)-Se(1) bond length. In the second V site, V(2) is bonded in a 3-coordinate geometry to one V(1) and two equivalent Mn(1) atoms. There is one shorter (2.03 Å) and one longer (2.24 Å) V(2)-Mn(1) bond length. Mn(1) is bonded in a distorted single-bond geometry to two equivalent V(1), two equivalent V(2), and one Se(1) atom. The Mn(1)-Se(1) bond length is 1.42 Å. Se(1) is bonded in a single-bond geometry to two equivalent V(1) and one Mn(1) atom.