data_Mn2ZnTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59
_cell_length_b   4.16
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   100.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2ZnTc
_chemical_formula_sum   'Mn2 Zn1 Tc1'
_cell_volume   52.24
_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  0.63  0.08  0.83  1.0
  Mn  Mn1  1  0.7  0.0  0.25  1.0
  Zn  Zn3  1  0.91  0.0  0.71  1.0
  Tc  Tc2  1  0.88  0.08  0.34  1.0

data_Mn2ZnTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   4.16
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   100.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2ZnTc
_chemical_formula_sum   'Mn2 Zn1 Tc1'
_cell_volume   52.24
_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  0.63  0.08  0.83  1.0
  Mn  Mn1  1  0.7  0.0  0.25  1.0
  Zn  Zn2  1  0.91  0.0  0.71  1.0
  Tc  Tc3  1  0.88  0.08  0.34  1.0

Mn Mn Zn Tc
Mn Mn Zn Tc 0 2 o o o 1 3 o o o 