data_BaTc2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   5.04
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   100.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTc2Ag
_chemical_formula_sum   'Ba1 Tc2 Ag1'
_cell_volume   106.74
_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
  Ba  Ba1  1  0.32  0.0  0.86  1.0
  Tc  Tc2  1  0.87  0.52  0.04  1.0
  Tc  Tc3  1  0.77  0.52  0.68  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_BaTc2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   5.04
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   100.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTc2Ag
_chemical_formula_sum   'Ba1 Tc2 Ag1'
_cell_volume   106.74
_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
  Ba  Ba0  1  0.32  0.0  0.86  1.0
  Tc  Tc1  1  0.77  0.52  0.68  1.0
  Tc  Tc2  1  0.87  0.52  0.04  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

Ba Tc Tc Ag