data_NaTcCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   8.3
_cell_angle_alpha   101.67
_cell_angle_beta   101.67
_cell_angle_gamma   60.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTcCl2
_chemical_formula_sum   'Na1 Tc1 Cl2'
_cell_volume   100.13
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.3  0.0  0.04  1.0
  Cl  Cl0  1  0.19  0.0  0.65  1.0
  Cl  Cl1  1  0.41  0.0  0.42  1.0

data_NaTcCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   8.3
_cell_angle_alpha   78.33
_cell_angle_beta   78.33
_cell_angle_gamma   60.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTcCl2
_chemical_formula_sum   'Na1 Tc1 Cl2'
_cell_volume   100.13
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.7  0.0  0.04  1.0
  Cl  Cl2  1  0.59  0.0  0.42  1.0
  Cl  Cl3  1  0.81  0.0  0.65  1.0

Na Tc Cl Cl