data_HfZn2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   4.0
_cell_angle_alpha   112.06
_cell_angle_beta   112.06
_cell_angle_gamma   43.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZn2As
_chemical_formula_sum   'Hf1 Zn2 As1'
_cell_volume   67.52
_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  0.85  0.0  0.95  1.0
  Zn  Zn2  1  0.03  0.0  0.64  1.0
  Zn  Zn3  1  0.14  0.0  0.75  1.0
  As  As0  1  0.04  0.0  0.8  1.0

data_HfZn2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   4.0
_cell_length_c   5.19
_cell_angle_alpha   112.06
_cell_angle_beta   111.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZn2As
_chemical_formula_sum   'Hf1 Zn2 As1'
_cell_volume   67.52
_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  0.95  0.85  1.0
  Zn  Zn1  1  0.0  0.64  0.03  1.0
  Zn  Zn2  1  0.0  0.75  0.14  1.0
  As  As3  1  0.0  0.8  0.04  1.0

Hf Zn Zn As