data_ReTcCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTcCl
_chemical_formula_sum   'Re1 Tc1 Cl1'
_cell_volume   43.98
_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
  Re  Re1  1  0.09  0.21  0.68  1.0
  Tc  Tc2  1  0.0  0.42  0.16  1.0
  Cl  Cl0  1  0.0  0.0  0.06  1.0

data_ReTcCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.19
_cell_length_c   4.19
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTcCl
_chemical_formula_sum   'Re1 Tc1 Cl1'
_cell_volume   43.98
_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
  Tc  Tc0  1  0.16  -0.0  0.42  1.0
  Re  Re1  1  0.68  0.09  0.21  1.0
  Cl  Cl2  1  0.06  0.0  0.0  1.0

Re Tc Cl
Re Tc Cl 0 2 o o + 0 1 o o + 0 1 o o o 1 2 o o o 