data_ScNiAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   4.2
_cell_angle_alpha   109.0
_cell_angle_beta   109.0
_cell_angle_gamma   38.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNiAg2
_chemical_formula_sum   'Sc1 Ni1 Ag2'
_cell_volume   70.48
_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
  Ni  Ni2  1  0.31  0.0  0.97  1.0
  Ag  Ag0  1  0.23  0.0  0.85  1.0
  Ag  Ag1  1  0.39  0.0  0.09  1.0

data_ScNiAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   4.2
_cell_length_c   5.34
_cell_angle_alpha   109.0
_cell_angle_beta   109.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNiAg2
_chemical_formula_sum   'Sc1 Ni1 Ag2'
_cell_volume   70.48
_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
  Ni  Ni1  1  0.0  0.97  0.31  1.0
  Ag  Ag2  1  0.0  0.09  0.39  1.0
  Ag  Ag3  1  0.0  0.85  0.23  1.0

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