data_GdInIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54
_cell_length_b   7.54
_cell_length_c   3.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdInIr
_chemical_formula_sum   'Gd3 In3 Ir3'
_cell_volume   196.36
_cell_formula_units_Z   3
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
  Gd  Gd0  1  0.48  0.0  0.0  1.0
  Gd  Gd1  1  0.53  0.66  0.0  1.0
  Gd  Gd2  1  0.76  0.88  0.0  1.0
  In  In3  1  0.93  0.0  0.99  1.0
  In  In4  1  0.04  0.67  0.99  1.0
  In  In5  1  0.81  0.86  0.99  1.0
  Ir  Ir6  1  0.0  0.0  0.0  1.0
  Ir  Ir7  1  0.77  0.18  0.99  1.0
  Ir  Ir8  1  0.0  0.36  0.99  1.0

data_GdInIr
_symmetry_space_group_name_H-M   Pm
_cell_length_a   7.54
_cell_length_b   3.98
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   GdInIr
_chemical_formula_sum   'Gd3 In3 Ir3'
_cell_volume   196.36
_cell_formula_units_Z   3
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
  Gd  Gd0  1  0.48  0.0  0.0  1.0
  Gd  Gd1  1  0.53  0.0  0.66  1.0
  Gd  Gd2  1  0.76  0.0  0.88  1.0
  In  In3  1  0.04  0.0  0.67  1.0
  In  In4  1  0.81  0.0  0.86  1.0
  In  In5  1  0.93  0.0  0.0  1.0
  Ir  Ir6  1  -0.0  0.0  0.36  1.0
  Ir  Ir7  1  0.0  0.0  0.0  1.0
  Ir  Ir8  1  0.77  0.0  0.18  1.0

Gd Gd Gd In In In Ir Ir Ir