data_HfTcAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   142.2
_cell_angle_beta   120.4
_cell_angle_gamma   72.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTcAs2
_chemical_formula_sum   'Hf1 Tc1 As2'
_cell_volume   70.1
_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  Hf2  1  0.0  0.0  0.13  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.55  0.24  1.0
  As  As1  1  0.66  0.0  0.89  1.0

data_HfTcAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   5.1
_cell_length_c   5.13
_cell_angle_alpha   119.8
_cell_angle_beta   108.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTcAs2
_chemical_formula_sum   'Hf1 Tc1 As2'
_cell_volume   70.1
_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  0.87  0.87  0.87  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.76  0.31  0.31  1.0
  As  As3  1  0.77  0.11  0.77  1.0

Hf Tc As As