data_TcAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   3.9
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAg
_chemical_formula_sum   'Tc2 Ag2'
_cell_volume   64.92
_cell_formula_units_Z   2
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
  Tc  Tc2  1  0.0  0.0  0.55  1.0
  Tc  Tc3  1  0.4  0.95  0.39  1.0
  Ag  Ag0  1  0.0  0.0  0.7  1.0
  Ag  Ag1  1  0.4  0.95  0.24  1.0

data_TcAg
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.8
_cell_length_b   3.9
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TcAg
_chemical_formula_sum   'Tc2 Ag2'
_cell_volume   64.92
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Tc  Tc0  2  0.2  0.48  0.92  1.0
  Ag  Ag1  2  0.2  0.48  0.77  1.0

Tc Tc Ag Ag