data_ZrTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   7.73
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTc2
_chemical_formula_sum   'Zr2 Tc4'
_cell_volume   100.27
_cell_formula_units_Z   2
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  Zr4  1  0.0  0.0  0.0  1.0
  Zr  Zr5  1  0.42  0.87  0.28  1.0
  Tc  Tc0  1  0.58  0.64  0.0  1.0
  Tc  Tc1  1  0.84  0.51  0.28  1.0
  Tc  Tc2  1  0.0  0.23  0.28  1.0
  Tc  Tc3  1  0.26  0.09  0.0  1.0

data_ZrTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.56
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTc2
_chemical_formula_sum   'Zr2 Tc4'
_cell_volume   100.27
_cell_formula_units_Z   2
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
  Zr  Zr1  1  0.58  0.72  0.13  1.0
  Tc  Tc2  1  0.16  0.72  0.49  1.0
  Tc  Tc3  1  0.42  0.0  0.36  1.0
  Tc  Tc4  1  0.74  0.0  0.91  1.0
  Tc  Tc5  1  1.0  0.72  0.77  1.0

Zr Zr Tc Tc Tc Tc