data_ScIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   4.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScIr2
_chemical_formula_sum   'Sc3 Ir6'
_cell_volume   152.02
_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
  Sc  Sc6  1  0.0  0.0  0.0  1.0
  Sc  Sc7  1  0.0  0.78  0.05  1.0
  Sc  Sc8  1  0.27  0.89  0.05  1.0
  Ir  Ir0  1  0.2  0.38  0.05  1.0
  Ir  Ir1  1  0.12  0.26  0.0  1.0
  Ir  Ir2  1  0.6  0.0  0.05  1.0
  Ir  Ir3  1  0.47  0.29  0.05  1.0
  Ir  Ir4  1  0.76  0.0  0.0  1.0
  Ir  Ir5  1  0.39  0.41  0.0  1.0

data_ScIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   6.55
_cell_length_c   6.55
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScIr2
_chemical_formula_sum   'Sc3 Ir6'
_cell_volume   152.02
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.05  -0.0  0.78  1.0
  Sc  Sc2  1  0.05  0.27  0.89  1.0
  Ir  Ir3  1  0.0  0.12  0.26  1.0
  Ir  Ir4  1  0.0  0.76  0.0  1.0
  Ir  Ir5  1  0.0  0.39  0.41  1.0
  Ir  Ir6  1  0.05  0.2  0.38  1.0
  Ir  Ir7  1  0.05  0.47  0.29  1.0
  Ir  Ir8  1  0.05  0.6  0.0  1.0

Sc Sc Sc Ir Ir Ir Ir Ir Ir