data_ZnSe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   146.68
_cell_angle_beta   101.07
_cell_angle_gamma   88.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSe2Cl
_chemical_formula_sum   'Zn1 Se2 Cl1'
_cell_volume   108.74
_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
  Zn  Zn3  1  0.0  0.77  0.02  1.0
  Se  Se1  1  0.0  0.77  0.83  1.0
  Se  Se2  1  0.0  0.0  0.2  1.0
  Cl  Cl0  1  0.0  0.0  0.7  1.0

data_ZnSe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   78.93
_cell_angle_beta   73.34
_cell_angle_gamma   73.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSe2Cl
_chemical_formula_sum   'Zn1 Se2 Cl1'
_cell_volume   108.74
_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
  Zn  Zn0  1  0.77  -0.0  0.25  1.0
  Se  Se1  1  0.0  -0.0  0.2  1.0
  Se  Se2  1  0.77  -0.0  0.06  1.0
  Cl  Cl3  1  0.0  0.0  0.7  1.0

Zn Se Se Cl