data_ZrTc2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   136.38
_cell_angle_beta   136.38
_cell_angle_gamma   63.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTc2Cl
_chemical_formula_sum   'Zr1 Tc2 Cl1'
_cell_volume   66.07
_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  0.93  0.21  1.0
  Tc  Tc1  1  0.93  0.0  0.21  1.0
  Tc  Tc2  1  0.0  0.0  0.42  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   3.86
_cell_length_b   3.86
_cell_length_c   5.2
_cell_angle_alpha   111.81
_cell_angle_beta   111.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTc2Cl
_chemical_formula_sum   'Zr1 Tc2 Cl1'
_cell_volume   66.07
_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  0.72  0.93  0.72  1.0
  Tc  Tc1  1  0.58  0.0  0.58  1.0
  Tc  Tc2  1  0.79  0.0  0.72  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Zr Tc Tc Cl