data_Na2MnTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.89
_cell_angle_alpha   150.25
_cell_angle_beta   140.3
_cell_angle_gamma   50.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MnTc
_chemical_formula_sum   'Na2 Mn1 Tc1'
_cell_volume   64.47
_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
  Na  Na1  1  0.0  1.0  0.77  1.0
  Na  Na2  1  0.51  0.0  0.56  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.33  1.0

data_Na2MnTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.0
_cell_length_c   5.89
_cell_angle_alpha   109.85
_cell_angle_beta   104.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MnTc
_chemical_formula_sum   'Na2 Mn1 Tc1'
_cell_volume   64.47
_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
  Na  Na0  1  0.0  0.56  0.05  1.0
  Na  Na1  1  0.0  0.77  0.77  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.33  0.33  1.0

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