data_ZrTc2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   3.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTc2Ag
_chemical_formula_sum   'Zr1 Tc2 Ag1'
_cell_volume   61.59
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.43  0.55  0.85  1.0
  Tc  Tc2  1  0.43  0.45  0.85  1.0
  Ag  Ag0  1  0.85  0.0  0.0  1.0

data_ZrTc2Ag
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.71
_cell_length_b   4.08
_cell_length_c   4.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZrTc2Ag
_chemical_formula_sum   'Zr1 Tc2 Ag1'
_cell_volume   61.6
_cell_formula_units_Z   1
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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.85  0.45  0.43  1.0
  Ag  Ag2  1  0.0  0.0  0.85  1.0

Zr Tc Tc Ag