data_HfTcAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   5.75
_cell_angle_alpha   101.94
_cell_angle_beta   101.94
_cell_angle_gamma   46.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTcAs2
_chemical_formula_sum   'Hf1 Tc1 As2'
_cell_volume   69.87
_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  0.18  0.0  0.8  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.41  0.0  0.21  1.0
  As  As1  1  0.95  0.0  0.39  1.0

data_HfTcAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.16
_cell_length_c   5.75
_cell_angle_alpha   101.94
_cell_angle_beta   90.0
_cell_angle_gamma   113.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTcAs2
_chemical_formula_sum   'Hf1 Tc1 As2'
_cell_volume   69.87
_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  0.82  0.2  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.0  0.05  0.61  1.0
  As  As3  1  0.0  0.59  0.79  1.0

Hf Tc As As