data_Hf3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   4.8
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   106.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3As
_chemical_formula_sum   'Hf3 As1'
_cell_volume   83.86
_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  0.83  0.4  0.09  1.0
  Hf  Hf2  1  0.2  0.0  0.69  1.0
  Hf  Hf3  1  0.82  0.4  0.29  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Hf3As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.8
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   106.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3As
_chemical_formula_sum   'Hf3 As1'
_cell_volume   83.86
_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  0.2  0.0  0.69  1.0
  Hf  Hf1  1  0.82  0.4  0.29  1.0
  Hf  Hf2  1  0.83  0.4  0.09  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Hf Hf Hf As