data_Sc2AgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AgIr
_chemical_formula_sum   'Sc2 Ag1 Ir1'
_cell_volume   74.09
_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  Sc2  1  0.23  0.0  0.31  1.0
  Sc  Sc3  1  0.23  0.0  1.0  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.65  1.0

data_Sc2AgIr
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sc2AgIr
_chemical_formula_sum   'Sc2 Ag1 Ir1'
_cell_volume   74.11
_cell_formula_units_Z   1
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
  Sc  Sc0  1  0.23  0.0  0.31  1.0
  Sc  Sc1  1  0.23  0.0  1.0  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.0  0.65  1.0

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