data_NbSe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   3.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSe2Cl
_chemical_formula_sum   'Nb1 Se2 Cl1'
_cell_volume   77.71
_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
  Nb  Nb1  1  0.51  0.0  0.0  1.0
  Se  Se2  1  0.25  0.79  0.75  1.0
  Se  Se3  1  0.25  0.21  0.75  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_NbSe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   5.02
_cell_length_c   5.08
_cell_angle_alpha   119.62
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSe2Cl
_chemical_formula_sum   'Nb1 Se2 Cl1'
_cell_volume   77.71
_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
  Nb  Nb0  1  0.0  0.0  0.51  1.0
  Se  Se1  1  0.75  0.21  0.46  1.0
  Se  Se2  1  0.75  0.79  0.05  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Nb Se Se Cl