data_AgSeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   3.51
_cell_length_c   8.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSeCl2
_chemical_formula_sum   'Ag1 Se1 Cl2'
_cell_volume   89.57
_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
  Ag  Ag0  1  0.0  0.0  0.23  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.73  0.0  0.07  1.0
  Cl  Cl2  1  0.73  0.0  0.38  1.0

data_AgSeCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.51
_cell_length_b   6.03
_cell_length_c   8.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgSeCl2
_chemical_formula_sum   'Ag2 Se2 Cl4'
_cell_volume   179.15
_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
  Ag  Ag0  2  0.0  0.0  0.77  1.0
  Se  Se1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  2  0.27  0.0  0.62  1.0
  Cl  Cl3  2  0.27  0.0  0.93  1.0

Ag Se Cl Cl
Ag Se Cl Cl 0 2 - o o 0 3 - o o 0 1 o o o 1 2 - o o 