data_MnTlTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.9
_cell_angle_alpha   101.68
_cell_angle_beta   101.68
_cell_angle_gamma   35.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTlTc2
_chemical_formula_sum   'Mn1 Tl1 Tc2'
_cell_volume   63.76
_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  0.49  0.0  0.96  1.0
  Tl  Tl3  1  0.0  0.0  0.34  1.0
  Tc  Tc1  1  0.02  0.0  0.78  1.0
  Tc  Tc2  1  0.54  0.0  0.88  1.0

data_MnTlTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.78
_cell_length_c   4.9
_cell_angle_alpha   101.68
_cell_angle_beta   90.0
_cell_angle_gamma   107.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTlTc2
_chemical_formula_sum   'Mn1 Tl1 Tc2'
_cell_volume   63.76
_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  0.51  0.04  1.0
  Tl  Tl1  1  0.0  1.0  0.66  1.0
  Tc  Tc2  1  0.0  0.46  0.12  1.0
  Tc  Tc3  1  0.0  0.98  0.22  1.0

Mn Tl Tc Tc
Mn Tl Tc Tc 0 3 o o o 0 2 o o o 1 2 o o o 2 3 - o o 2 3 o o o 