data_In2CoCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   4.88
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2CoCl
_chemical_formula_sum   'In2 Co1 Cl1'
_cell_volume   89.27
_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  0.55  0.44  0.0  1.0
  In  In3  1  0.0  0.44  0.96  1.0
  Co  Co1  1  0.55  0.0  0.96  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_In2CoCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.88
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2CoCl
_chemical_formula_sum   'In2 Co1 Cl1'
_cell_volume   89.27
_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  In0  1  0.0  0.44  0.96  1.0
  In  In1  1  0.55  0.44  0.0  1.0
  Co  Co2  1  0.55  0.0  0.96  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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