data_Mn2ReTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   3.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2ReTc
_chemical_formula_sum   'Mn2 Re1 Tc1'
_cell_volume   52.22
_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  0.88  0.84  1.0
  Mn  Mn1  1  0.88  0.0  0.84  1.0
  Re  Re2  1  0.88  0.88  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

data_Mn2ReTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   3.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2ReTc
_chemical_formula_sum   'Mn4 Re2 Tc2'
_cell_volume   104.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.44  0.44  0.84  1.0
  Tc  Tc1  2  0.0  0.0  0.0  1.0
  Re  Re2  2  0.38  0.5  -0.0  1.0

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