data_Sc4Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.74
_cell_length_b   10.74
_cell_length_c   10.74
_cell_angle_alpha   160.84
_cell_angle_beta   160.84
_cell_angle_gamma   27.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4Ir3
_chemical_formula_sum   'Sc4 Ir3'
_cell_volume   133.39
_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
  Sc  Sc3  1  0.0  0.0  0.46  1.0
  Sc  Sc4  1  0.0  0.0  0.01  1.0
  Sc  Sc5  1  0.0  0.0  0.86  1.0
  Sc  Sc6  1  0.0  0.0  0.42  1.0
  Ir  Ir0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.3  1.0
  Ir  Ir2  1  0.0  0.0  0.58  1.0

data_Sc4Ir3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   10.74
_cell_angle_alpha   90.0
_cell_angle_beta   103.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc4Ir3
_chemical_formula_sum   'Sc8 Ir6'
_cell_volume   266.77
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.14  1.0
  Sc  Sc1  2  0.0  0.0  0.54  1.0
  Sc  Sc2  2  0.0  0.0  0.58  1.0
  Sc  Sc3  2  0.0  0.0  0.99  1.0
  Ir  Ir4  2  0.0  0.0  0.0  1.0
  Ir  Ir5  2  0.0  0.0  0.42  1.0
  Ir  Ir6  2  0.0  0.0  0.7  1.0

Sc Sc Sc Sc Ir Ir Ir
Sc Sc Sc Sc Ir Ir Ir 0 3 o o o 0 6 o o o 1 4 o o o 1 2 o o - 2 4 o o + 3 5 o o o 