data_InCu2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   2.9
_cell_angle_alpha   104.15
_cell_angle_beta   104.15
_cell_angle_gamma   119.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCu2Ir
_chemical_formula_sum   'In1 Cu2 Ir1'
_cell_volume   61.32
_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  0.0  1.0
  Cu  Cu0  1  0.63  0.73  0.27  1.0
  Cu  Cu1  1  0.63  0.27  0.27  1.0
  Ir  Ir3  1  0.67  0.0  0.0  1.0

data_InCu2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.68
_cell_length_c   5.26
_cell_angle_alpha   115.22
_cell_angle_beta   104.15
_cell_angle_gamma   94.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCu2Ir
_chemical_formula_sum   'In1 Cu2 Ir1'
_cell_volume   61.32
_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  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.73  0.37  1.0
  Cu  Cu2  1  0.53  0.27  0.9  1.0
  Ir  Ir3  1  0.0  0.0  0.67  1.0

In Cu Cu Ir