data_MnNbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.83
_cell_angle_alpha   143.08
_cell_angle_beta   143.08
_cell_angle_gamma   53.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNbSe2
_chemical_formula_sum   'Mn1 Nb1 Se2'
_cell_volume   70.98
_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
  Nb  Nb1  1  0.85  0.0  0.61  1.0
  Se  Se2  1  0.0  0.0  0.21  1.0
  Se  Se3  1  0.0  0.85  0.61  1.0

data_MnNbSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   5.83
_cell_angle_alpha   108.46
_cell_angle_beta   108.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNbSe2
_chemical_formula_sum   'Mn1 Nb1 Se2'
_cell_volume   70.98
_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
  Nb  Nb1  1  0.61  0.76  0.76  1.0
  Se  Se2  1  0.21  0.21  0.21  1.0
  Se  Se3  1  0.76  0.61  0.76  1.0

Mn Nb Se Se