data_ZrTc2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   5.12
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   91.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTc2Cl
_chemical_formula_sum   'Zr1 Tc2 Cl1'
_cell_volume   68.28
_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  0.42  0.0  0.23  1.0
  Tc  Tc1  1  0.5  0.56  0.14  1.0
  Tc  Tc2  1  0.34  0.56  0.32  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_ZrTc2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.47
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTc2Cl
_chemical_formula_sum   'Zr1 Tc2 Cl1'
_cell_volume   68.28
_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  0.58  0.77  0.0  1.0
  Tc  Tc1  1  0.5  0.86  0.44  1.0
  Tc  Tc2  1  0.66  0.68  0.44  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Zr Tc Tc Cl