data_In2CoIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.98
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2CoIr
_chemical_formula_sum   'In2 Co1 Ir1'
_cell_volume   68.26
_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  0.51  0.99  0.44  1.0
  In  In2  1  0.0  0.0  0.64  1.0
  Co  Co0  1  0.0  0.0  0.36  1.0
  Ir  Ir3  1  0.51  0.99  0.77  1.0

data_In2CoIr
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.98
_cell_length_b   3.02
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   In2CoIr
_chemical_formula_sum   'In2 Co1 Ir1'
_cell_volume   68.26
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  'x, -y, z'
  4  '-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  0.0  0.64  1.0
  In  In1  1  0.99  0.5  0.44  1.0
  Co  Co2  1  0.0  0.0  0.36  1.0
  Ir  Ir3  1  0.99  0.5  0.77  1.0

In In Co Ir