data_Zn2ReTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64
_cell_length_b   4.39
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   100.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2ReTc
_chemical_formula_sum   'Zn2 Re1 Tc1'
_cell_volume   58.24
_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
  Zn  Zn2  1  0.75  0.19  0.25  1.0
  Zn  Zn3  1  0.95  0.19  0.77  1.0
  Re  Re0  1  0.85  0.0  0.51  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0

data_Zn2ReTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   4.39
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   100.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2ReTc
_chemical_formula_sum   'Zn2 Re1 Tc1'
_cell_volume   58.24
_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
  Zn  Zn0  1  0.75  0.19  0.25  1.0
  Zn  Zn1  1  0.95  0.19  0.77  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.85  0.0  0.51  1.0

Zn Zn Re Tc
Zn Zn Re Tc 0 3 + o o 0 2 o o o 1 2 o o o 1 3 + o + 