data_MnTc2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   4.12
_cell_angle_alpha   92.73
_cell_angle_beta   92.73
_cell_angle_gamma   32.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTc2Cl
_chemical_formula_sum   'Mn1 Tc2 Cl1'
_cell_volume   57.47
_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  0.78  0.0  0.06  1.0
  Tc  Tc2  1  0.89  0.0  0.97  1.0
  Tc  Tc3  1  0.67  0.0  0.14  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_MnTc2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.12
_cell_length_c   5.09
_cell_angle_alpha   92.73
_cell_angle_beta   106.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTc2Cl
_chemical_formula_sum   'Mn1 Tc2 Cl1'
_cell_volume   57.47
_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  Mn0  1  0.0  0.06  0.78  1.0
  Tc  Tc1  1  0.0  0.14  0.67  1.0
  Tc  Tc2  1  0.0  0.97  0.89  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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