data_InClO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   4.11
_cell_length_c   28.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InClO
_chemical_formula_sum   'In2 Cl2 O2'
_cell_volume   420.18
_cell_formula_units_Z   2
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  In0  1  0.71  0.54  0.19  1.0
  In  In1  1  0.21  0.04  0.12  1.0
  Cl  Cl2  1  0.21  0.54  0.25  1.0
  Cl  Cl3  1  0.71  0.04  0.05  1.0
  O  O4  1  0.71  0.04  0.16  1.0
  O  O5  1  0.21  0.54  0.14  1.0

In In Cl Cl O O 0 5 o o o 0 5 + o o 0 2 o o o 0 2 + o o 0 4 o o o 0 4 o + o 1 3 - o o 1 3 o o o 1 4 - o o 1 4 o o o 1 5 o - o 1 5 o o o 
data_InClO
_symmetry_space_group_name_H-M   Pmmn
_cell_length_a   3.57
_cell_length_b   4.11
_cell_length_c   28.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   59
_chemical_formula_structural   InClO
_chemical_formula_sum   'In2 Cl2 O2'
_cell_volume   420.18
_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'
  5  '-x+1/2, -y+1/2, -z'
  6  'x+1/2, y+1/2, -z'
  7  '-x, y, z'
  8  '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  In0  2  0.0  0.0  0.96  1.0
  Cl  Cl1  2  0.0  0.5  0.1  1.0
  O  O2  2  0.0  0.5  0.99  1.0
