data_NaSe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   7.52
_cell_angle_alpha   102.96
_cell_angle_beta   102.96
_cell_angle_gamma   55.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSe2Cl
_chemical_formula_sum   'Na1 Se2 Cl1'
_cell_volume   119.1
_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
  Na  Na1  1  0.67  0.0  0.86  1.0
  Se  Se2  1  0.51  0.0  0.41  1.0
  Se  Se3  1  0.48  0.0  0.4  1.0
  Cl  Cl0  1  0.18  0.0  0.25  1.0

data_NaSe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.45
_cell_length_c   7.52
_cell_angle_alpha   102.96
_cell_angle_beta   90.0
_cell_angle_gamma   117.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSe2Cl
_chemical_formula_sum   'Na1 Se2 Cl1'
_cell_volume   119.1
_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
  Na  Na0  1  0.0  0.33  0.14  1.0
  Se  Se1  1  0.0  0.49  0.59  1.0
  Se  Se2  1  0.0  0.52  0.6  1.0
  Cl  Cl3  1  0.0  0.82  0.75  1.0

Na Se Se Cl