data_FeTcCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   151.0
_cell_angle_beta   151.0
_cell_angle_gamma   41.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTcCl
_chemical_formula_sum   'Fe1 Tc1 Cl1'
_cell_volume   42.58
_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
  Fe  Fe1  1  0.0  0.0  0.35  1.0
  Tc  Tc2  1  0.0  0.0  0.22  1.0
  Cl  Cl0  1  0.0  0.0  0.02  1.0

data_FeTcCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   110.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeTcCl
_chemical_formula_sum   'Fe2 Tc2 Cl2'
_cell_volume   85.15
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Fe  Fe0  2  0.35  0.0  0.35  1.0
  Tc  Tc1  2  0.22  0.0  0.22  1.0
  Cl  Cl2  2  0.02  0.0  0.02  1.0

Fe Tc Cl
Fe Tc Cl 0 1 o o o 1 2 o o o 