data_ZrNbTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   2.9
_cell_angle_alpha   101.73
_cell_angle_beta   101.73
_cell_angle_gamma   113.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNbTc2
_chemical_formula_sum   'Zr1 Nb1 Tc2'
_cell_volume   68.3
_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
  Nb  Nb0  1  0.9  0.0  0.0  1.0
  Tc  Tc1  1  0.91  0.81  0.35  1.0
  Tc  Tc2  1  0.91  0.19  0.35  1.0

data_ZrNbTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   113.0
_cell_angle_beta   101.73
_cell_angle_gamma   101.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNbTc2
_chemical_formula_sum   'Zr1 Nb1 Tc2'
_cell_volume   68.3
_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  0.0  0.0  0.0  1.0
  Nb  Nb1  1  -0.0  0.9  0.0  1.0
  Tc  Tc2  1  0.35  0.91  0.19  1.0
  Tc  Tc3  1  0.35  0.91  0.81  1.0

Zr Nb Tc Tc
Zr Nb Tc Tc 0 1 - o o 0 2 - - o 0 2 - - - 1 2 o - o 1 3 o o o 