data_ScAgIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.9
_cell_angle_alpha   101.85
_cell_angle_beta   101.85
_cell_angle_gamma   34.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAgIr2
_chemical_formula_sum   'Sc1 Ag1 Ir2'
_cell_volume   65.15
_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  0.0  1.0
  Ag  Ag0  1  0.14  0.0  0.39  1.0
  Ir  Ir1  1  0.67  0.0  0.2  1.0
  Ir  Ir2  1  0.61  0.0  0.58  1.0

data_ScAgIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.89
_cell_length_c   4.9
_cell_angle_alpha   101.85
_cell_angle_beta   90.0
_cell_angle_gamma   107.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAgIr2
_chemical_formula_sum   'Sc1 Ag1 Ir2'
_cell_volume   65.15
_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  Sc0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.86  0.61  1.0
  Ir  Ir2  1  0.0  0.33  0.8  1.0
  Ir  Ir3  1  0.0  0.39  0.42  1.0

Sc Ag Ir Ir
Sc Ag Ir Ir 0 2 - o o 0 1 o o o 1 2 - o o 1 3 o o o 2 3 o o o 