data_In2SeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75
_cell_length_b   7.75
_cell_length_c   7.75
_cell_angle_alpha   31.67
_cell_angle_beta   31.67
_cell_angle_gamma   31.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2SeCl
_chemical_formula_sum   'In2 Se1 Cl1'
_cell_volume   114.11
_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
  In  In1  1  0.0  0.0  0.39  1.0
  In  In2  1  0.0  0.0  0.69  1.0
  Se  Se3  1  0.0  0.0  0.04  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_In2SeCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.33
_cell_length_b   4.23
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   108.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In2SeCl
_chemical_formula_sum   'In4 Se2 Cl2'
_cell_volume   228.22
_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
  In  In0  2  -0.0  0.0  0.61  1.0
  In  In1  2  0.0  0.0  0.31  1.0
  Se  Se2  2  0.0  0.0  0.96  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

In In Se Cl
In In Se Cl 0 2 o o o 0 1 o o o 1 3 o o + 1 2 o o + 2 3 o o o 