data_Mn2TcCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   3.55
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   100.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2TcCl
_chemical_formula_sum   'Mn2 Tc1 Cl1'
_cell_volume   54.94
_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  0.35  0.77  0.21  1.0
  Mn  Mn2  1  0.69  0.0  0.16  1.0
  Tc  Tc3  1  0.34  0.77  0.46  1.0
  Cl  Cl0  1  0.28  0.0  0.48  1.0

data_Mn2TcCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   3.55
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   100.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2TcCl
_chemical_formula_sum   'Mn2 Tc1 Cl1'
_cell_volume   54.94
_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  0.35  0.77  0.21  1.0
  Mn  Mn1  1  0.69  0.0  0.16  1.0
  Tc  Tc2  1  0.34  0.77  0.46  1.0
  Cl  Cl3  1  0.28  0.0  0.48  1.0

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