data_MnVSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36
_cell_length_b   7.36
_cell_length_c   7.36
_cell_angle_alpha   24.45
_cell_angle_beta   24.45
_cell_angle_gamma   24.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVSe2
_chemical_formula_sum   'Mn1 V1 Se2'
_cell_volume   60.18
_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
  Mn  Mn0  1  0.0  0.0  0.71  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.0  0.0  0.11  1.0
  Se  Se2  1  0.0  0.0  0.32  1.0

data_MnVSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.4
_cell_length_b   3.12
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   104.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnVSe2
_chemical_formula_sum   'Mn2 V2 Se4'
_cell_volume   120.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.29  1.0
  V  V1  2  0.0  0.0  0.0  1.0
  Se  Se2  2  -0.0  0.0  0.68  1.0
  Se  Se3  2  -0.0  0.0  0.89  1.0

Mn V Se Se