data_MnCo2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52
_cell_length_b   3.65
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCo2Tc
_chemical_formula_sum   'Mn1 Co2 Tc1'
_cell_volume   46.08
_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  Mn2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.26  0.82  0.82  1.0
  Co  Co1  1  0.26  0.82  0.19  1.0
  Tc  Tc3  1  0.0  0.0  0.5  1.0

data_MnCo2Tc
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.52
_cell_length_b   5.01
_cell_length_c   3.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MnCo2Tc
_chemical_formula_sum   'Mn1 Co2 Tc1'
_cell_volume   46.08
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  1.0
  Co  Co1  2  0.26  0.18  0.82  1.0
  Tc  Tc2  1  0.0  0.5  0.0  1.0

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