data_Sc2ZnAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   5.74
_cell_angle_alpha   101.37
_cell_angle_beta   101.37
_cell_angle_gamma   40.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ZnAg
_chemical_formula_sum   'Sc2 Zn1 Ag1'
_cell_volume   84.39
_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  Sc1  1  0.37  0.0  0.27  1.0
  Sc  Sc2  1  0.48  0.0  0.35  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.93  0.0  0.81  1.0

data_Sc2ZnAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.82
_cell_length_c   5.74
_cell_angle_alpha   101.37
_cell_angle_beta   90.0
_cell_angle_gamma   110.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ZnAg
_chemical_formula_sum   'Sc2 Zn1 Ag1'
_cell_volume   84.39
_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  0.52  0.65  1.0
  Sc  Sc1  1  0.0  0.63  0.73  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.07  0.19  1.0

Sc Sc Zn Ag