data_ZnFeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   7.27
_cell_angle_alpha   102.95
_cell_angle_beta   102.95
_cell_angle_gamma   57.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFeAs2
_chemical_formula_sum   'Zn1 Fe1 As2'
_cell_volume   64.93
_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
  Zn  Zn3  1  0.99  0.0  0.51  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.93  0.0  0.49  1.0
  As  As1  1  0.05  0.0  0.54  1.0

data_ZnFeAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   3.32
_cell_length_c   7.27
_cell_angle_alpha   102.95
_cell_angle_beta   90.0
_cell_angle_gamma   118.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFeAs2
_chemical_formula_sum   'Zn1 Fe1 As2'
_cell_volume   64.93
_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
  Zn  Zn0  1  0.0  0.01  0.49  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.0  0.07  0.51  1.0
  As  As3  1  0.0  0.95  0.46  1.0

Zn Fe As As