data_ZrZnTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   3.89
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZnTc2
_chemical_formula_sum   'Zr1 Zn1 Tc2'
_cell_volume   65.25
_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  0.49  0.95  0.25  1.0
  Zn  Zn2  1  0.0  0.0  0.75  1.0
  Tc  Tc0  1  0.0  0.0  0.12  1.0
  Tc  Tc1  1  0.49  0.95  0.32  1.0

data_ZrZnTc2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.89
_cell_length_b   2.98
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZrZnTc2
_chemical_formula_sum   'Zr1 Zn1 Tc2'
_cell_volume   65.25
_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  0.95  0.5  0.25  1.0
  Zn  Zn1  1  0.0  0.0  0.75  1.0
  Tc  Tc2  1  0.0  0.0  0.12  1.0
  Tc  Tc3  1  0.95  0.5  0.32  1.0

Zr Zn Tc Tc
Zr Zn Tc Tc 0 3 o o o 0 2 + + o 0 2 o + o 1 2 o o + 2 3 - - o 2 3 o - o 