data_HfMn2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21
_cell_length_b   8.21
_cell_length_c   8.21
_cell_angle_alpha   20.41
_cell_angle_beta   20.41
_cell_angle_gamma   20.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMn2Tc
_chemical_formula_sum   'Hf1 Mn2 Tc1'
_cell_volume   58.82
_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  0.05  1.0
  Mn  Mn1  1  0.0  0.0  0.94  1.0
  Mn  Mn2  1  0.0  0.0  0.16  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

data_HfMn2Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.04
_cell_length_b   2.91
_cell_length_c   8.21
_cell_angle_alpha   90.0
_cell_angle_beta   101.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMn2Tc
_chemical_formula_sum   'Hf2 Mn4 Tc2'
_cell_volume   117.64
_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  0.95  1.0
  Mn  Mn1  2  0.0  0.0  0.06  1.0
  Mn  Mn2  2  0.0  0.0  0.84  1.0
  Tc  Tc3  2  0.0  0.0  0.0  1.0

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