data_ScInAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.29
_cell_angle_alpha   99.31
_cell_angle_beta   99.31
_cell_angle_gamma   36.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScInAg2
_chemical_formula_sum   'Sc1 In1 Ag2'
_cell_volume   81.59
_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
  In  In2  1  0.42  0.0  0.61  1.0
  Ag  Ag0  1  0.77  0.0  0.96  1.0
  Ag  Ag1  1  0.06  0.0  0.25  1.0

data_ScInAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.13
_cell_length_c   5.29
_cell_angle_alpha   99.31
_cell_angle_beta   90.0
_cell_angle_gamma   108.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScInAg2
_chemical_formula_sum   'Sc1 In1 Ag2'
_cell_volume   81.59
_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
  In  In1  1  0.0  0.58  0.39  1.0
  Ag  Ag2  1  0.0  0.23  0.04  1.0
  Ag  Ag3  1  0.0  0.94  0.75  1.0

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