data_In2CoCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.63
_cell_length_b   9.63
_cell_length_c   9.63
_cell_angle_alpha   20.0
_cell_angle_beta   20.0
_cell_angle_gamma   20.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2CoCl
_chemical_formula_sum   'In2 Co1 Cl1'
_cell_volume   91.42
_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  In2  1  0.0  0.0  0.6  1.0
  In  In3  1  0.0  0.0  0.3  1.0
  Co  Co1  1  0.0  0.0  0.45  1.0
  Cl  Cl0  1  0.0  0.0  0.1  1.0

data_In2CoCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.79
_cell_length_b   3.35
_cell_length_c   9.63
_cell_angle_alpha   90.0
_cell_angle_beta   101.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In2CoCl
_chemical_formula_sum   'In4 Co2 Cl2'
_cell_volume   182.83
_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  0.4  1.0
  In  In1  2  0.0  0.0  0.7  1.0
  Co  Co2  2  0.0  0.0  0.55  1.0
  Cl  Cl3  2  0.0  0.0  0.9  1.0

In In Co Cl
In In Co Cl 0 2 o o o 1 2 o o o 1 3 o o o 