data_ScTc2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.98
_cell_angle_alpha   101.6
_cell_angle_beta   101.6
_cell_angle_gamma   37.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTc2Ag
_chemical_formula_sum   'Sc1 Tc2 Ag1'
_cell_volume   67.88
_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  0.52  0.0  0.3  1.0
  Tc  Tc2  1  0.98  0.0  0.62  1.0
  Tc  Tc3  1  0.53  0.0  0.89  1.0
  Ag  Ag0  1  0.08  0.0  0.36  1.0

data_ScTc2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.8
_cell_length_c   4.98
_cell_angle_alpha   101.6
_cell_angle_beta   90.0
_cell_angle_gamma   108.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTc2Ag
_chemical_formula_sum   'Sc1 Tc2 Ag1'
_cell_volume   67.88
_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  0.48  0.7  1.0
  Tc  Tc1  1  0.0  0.02  0.38  1.0
  Tc  Tc2  1  0.0  0.47  0.11  1.0
  Ag  Ag3  1  0.0  0.92  0.64  1.0

Sc Tc Tc Ag