data_Zr2TcAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   3.35
_cell_angle_alpha   91.61
_cell_angle_beta   91.61
_cell_angle_gamma   92.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TcAg
_chemical_formula_sum   'Zr2 Tc1 Ag1'
_cell_volume   75.39
_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  Zr2  1  0.57  0.72  0.67  1.0
  Zr  Zr3  1  0.57  0.28  0.67  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.28  0.0  0.0  1.0

data_Zr2TcAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   92.78
_cell_angle_beta   91.61
_cell_angle_gamma   91.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TcAg
_chemical_formula_sum   'Zr2 Tc1 Ag1'
_cell_volume   75.39
_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  0.67  0.57  0.28  1.0
  Zr  Zr1  1  0.67  0.57  0.72  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.28  0.0  1.0

Zr Zr Tc Ag