data_MnTc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.86
_cell_length_b   8.86
_cell_length_c   8.86
_cell_angle_alpha   17.56
_cell_angle_beta   17.56
_cell_angle_gamma   17.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTc3
_chemical_formula_sum   'Mn1 Tc3'
_cell_volume   55.18
_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  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.0  0.52  1.0
  Tc  Tc2  1  0.0  0.0  0.08  1.0
  Tc  Tc3  1  0.0  0.0  0.63  1.0

data_MnTc3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.68
_cell_length_b   2.7
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   100.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnTc3
_chemical_formula_sum   'Mn2 Tc6'
_cell_volume   110.35
_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  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  -0.0  0.0  0.48  1.0
  Tc  Tc2  2  -0.0  0.0  0.37  1.0
  Tc  Tc3  2  0.0  0.0  0.92  1.0

Mn Tc Tc Tc
Mn Tc Tc Tc 0 2 o o o 1 3 o o o 