data_MnTc2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   6.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTc2Cl
_chemical_formula_sum   'Mn1 Tc2 Cl1'
_cell_volume   54.88
_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
  Mn  Mn1  1  0.42  0.42  0.07  1.0
  Tc  Tc2  1  0.0  0.0  0.77  1.0
  Tc  Tc3  1  0.42  0.42  0.68  1.0
  Cl  Cl0  1  0.0  0.0  0.53  1.0

data_MnTc2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   6.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnTc2Cl
_chemical_formula_sum   'Mn2 Tc4 Cl2'
_cell_volume   109.76
_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
  Mn  Mn0  2  0.42  0.0  0.07  1.0
  Tc  Tc1  2  0.0  0.0  0.77  1.0
  Tc  Tc2  2  0.42  0.0  0.68  1.0
  Cl  Cl3  2  0.0  0.0  0.53  1.0

Mn Tc Tc Cl
Mn Tc Tc Cl 0 1 o o - 0 1 o + - 0 1 + o - 0 1 + + - 0 0 + o o 0 0 o + o 0 2 o o - 1 3 o o o 1 2 o o o 1 2 o - o 1 2 - o o 2 3 o o o 2 3 o + o 2 3 + o o 