data_HfMnTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.23
_cell_length_b   9.23
_cell_length_c   9.23
_cell_angle_alpha   17.38
_cell_angle_beta   17.38
_cell_angle_gamma   17.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnTc2
_chemical_formula_sum   'Hf1 Mn1 Tc2'
_cell_volume   61.27
_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
  Hf  Hf0  1  0.0  0.0  0.64  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.0  0.09  1.0
  Tc  Tc3  1  0.0  0.0  0.18  1.0

data_HfMnTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.83
_cell_length_b   2.79
_cell_length_c   9.23
_cell_angle_alpha   90.0
_cell_angle_beta   100.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMnTc2
_chemical_formula_sum   'Hf2 Mn2 Tc4'
_cell_volume   122.54
_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
  Hf  Hf0  2  0.0  0.0  0.36  1.0
  Mn  Mn1  2  0.0  0.0  0.0  1.0
  Tc  Tc2  2  0.0  0.0  0.82  1.0
  Tc  Tc3  2  0.0  0.0  0.91  1.0

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