data_Hf2TcSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TcSe
_chemical_formula_sum   'Hf2 Tc1 Se1'
_cell_volume   74.8
_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  0.24  1.0
  Hf  Hf1  1  0.25  0.0  0.29  1.0
  Tc  Tc3  1  0.25  0.0  0.92  1.0
  Se  Se2  1  0.0  0.0  0.36  1.0

data_Hf2TcSe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Hf2TcSe
_chemical_formula_sum   'Hf2 Tc1 Se1'
_cell_volume   74.82
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.24  1.0
  Hf  Hf1  1  0.25  0.0  0.29  1.0
  Tc  Tc2  1  0.25  0.0  0.92  1.0
  Se  Se3  1  0.0  0.0  0.36  1.0

Hf Hf Tc Se
Hf Hf Tc Se 0 3 o o o 0 1 o o o 0 2 o o - 1 3 o o o 1 2 o o - 