data_InCo2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   3.02
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCo2Cl
_chemical_formula_sum   'In1 Co2 Cl1'
_cell_volume   73.35
_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  In3  1  0.94  0.0  0.06  1.0
  Co  Co1  1  0.91  0.51  0.95  1.0
  Co  Co2  1  0.96  0.51  0.18  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_InCo2Cl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.96
_cell_length_b   3.02
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   InCo2Cl
_chemical_formula_sum   'In1 Co2 Cl1'
_cell_volume   73.35
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.94  0.0  0.06  1.0
  Co  Co1  1  0.91  0.5  0.95  1.0
  Co  Co2  1  0.96  0.5  0.18  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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