data_TiMn2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   2.64
_cell_angle_alpha   100.47
_cell_angle_beta   100.47
_cell_angle_gamma   116.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMn2Tc
_chemical_formula_sum   'Ti1 Mn2 Tc1'
_cell_volume   51.6
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Mn  Mn0  1  0.82  0.05  0.24  1.0
  Mn  Mn1  1  0.82  0.95  0.24  1.0
  Tc  Tc2  1  0.55  0.0  0.0  1.0

data_TiMn2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   116.18
_cell_angle_beta   100.47
_cell_angle_gamma   100.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMn2Tc
_chemical_formula_sum   'Ti1 Mn2 Tc1'
_cell_volume   51.6
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.24  0.82  0.05  1.0
  Mn  Mn2  1  0.24  0.82  0.95  1.0
  Tc  Tc3  1  -0.0  0.55  0.0  1.0

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