data_ScAg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   6.04
_cell_angle_alpha   106.37
_cell_angle_beta   106.37
_cell_angle_gamma   46.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAg5
_chemical_formula_sum   'Sc1 Ag5'
_cell_volume   110.75
_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  Sc5  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.82  0.0  0.96  1.0
  Ag  Ag1  1  0.64  0.0  0.93  1.0
  Ag  Ag2  1  0.07  0.0  0.88  1.0
  Ag  Ag3  1  0.91  0.0  0.82  1.0
  Ag  Ag4  1  0.73  0.0  0.79  1.0

data_ScAg5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   5.13
_cell_length_c   6.04
_cell_angle_alpha   106.37
_cell_angle_beta   90.0
_cell_angle_gamma   113.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAg5
_chemical_formula_sum   'Sc1 Ag5'
_cell_volume   110.75
_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  0.09  0.18  1.0
  Ag  Ag2  1  0.0  0.18  0.04  1.0
  Ag  Ag3  1  0.0  0.27  0.21  1.0
  Ag  Ag4  1  0.0  0.36  0.07  1.0
  Ag  Ag5  1  0.0  0.93  0.12  1.0

Sc Ag Ag Ag Ag Ag