data_ZrTc2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   4.05
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   96.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTc2Ag
_chemical_formula_sum   'Zr1 Tc2 Ag1'
_cell_volume   69.25
_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  0.53  0.0  0.83  1.0
  Tc  Tc1  1  0.11  0.0  0.23  1.0
  Tc  Tc2  1  0.26  0.03  0.29  1.0
  Ag  Ag0  1  0.04  0.03  0.4  1.0

data_ZrTc2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.05
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   96.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTc2Ag
_chemical_formula_sum   'Zr1 Tc2 Ag1'
_cell_volume   69.25
_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  Zr0  1  0.53  0.0  0.83  1.0
  Tc  Tc1  1  0.11  0.0  0.23  1.0
  Tc  Tc2  1  0.26  0.03  0.29  1.0
  Ag  Ag3  1  0.04  0.03  0.4  1.0

Zr Tc Tc Ag
Zr Tc Tc Ag 0 3 o o o 0 3 + o o 0 2 o o o 0 2 o o + 0 2 + o + 0 1 o o + 0 1 + o + 0 0 + o o 1 2 o o o 1 3 o o o 2 3 o o o 