data_SrHf2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   10.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2Tc
_chemical_formula_sum   'Sr1 Hf2 Tc1'
_cell_volume   93.36
_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
  Sr  Sr2  1  0.0  0.0  0.7  1.0
  Hf  Hf0  1  0.0  0.0  0.33  1.0
  Hf  Hf1  1  0.75  0.0  0.95  1.0
  Tc  Tc3  1  0.75  0.0  0.22  1.0

data_SrHf2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   10.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2Tc
_chemical_formula_sum   'Sr1 Hf2 Tc1'
_cell_volume   93.36
_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
  Sr  Sr0  1  0.0  0.0  0.7  1.0
  Hf  Hf1  1  0.0  0.0  0.33  1.0
  Hf  Hf2  1  0.75  0.0  0.95  1.0
  Tc  Tc3  1  0.75  0.0  0.22  1.0

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