data_MnZnTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   146.14
_cell_angle_beta   131.3
_cell_angle_gamma   60.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZnTc
_chemical_formula_sum   'Mn1 Zn1 Tc1'
_cell_volume   40.02
_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  0.0  0.9  1.0
  Zn  Zn2  1  0.0  0.0  0.27  1.0
  Tc  Tc1  1  0.0  0.0  0.67  1.0

data_MnZnTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   3.78
_cell_length_c   4.59
_cell_angle_alpha   114.35
_cell_angle_beta   106.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZnTc
_chemical_formula_sum   'Mn1 Zn1 Tc1'
_cell_volume   40.02
_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  0.1  0.1  0.1  1.0
  Zn  Zn1  1  0.73  0.73  0.73  1.0
  Tc  Tc2  1  0.33  0.33  0.33  1.0

Mn Zn Tc
Mn Zn Tc 0 2 o o o 0 1 o o + 1 2 o o o 