data_HfTeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69
_cell_length_b   7.5
_cell_length_c   3.31
_cell_angle_alpha   80.6
_cell_angle_beta   74.26
_cell_angle_gamma   25.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTeAs
_chemical_formula_sum   'Hf1 Te1 As1'
_cell_volume   76.44
_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  Hf1  1  0.01  0.63  0.49  1.0
  Te  Te2  1  0.01  0.63  0.42  1.0
  As  As0  1  0.01  0.63  0.54  1.0

data_HfTeAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.03
_cell_length_b   14.45
_cell_length_c   3.31
_cell_angle_alpha   90.0
_cell_angle_beta   127.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfTeAs
_chemical_formula_sum   'Hf2 Te2 As2'
_cell_volume   152.88
_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  0.49  0.0  0.5  1.0
  Te  Te1  2  0.42  0.0  0.44  1.0
  As  As2  2  0.04  0.5  0.55  1.0

Hf Te As
Hf Te As 0 2 o o o 0 1 o o o 