data_ZnFeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   9.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFeAs2
_chemical_formula_sum   'Zn1 Fe1 As2'
_cell_volume   68.42
_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  0.86  0.0  0.62  1.0
  Fe  Fe2  1  0.0  0.0  0.43  1.0
  As  As0  1  0.0  0.0  0.42  1.0
  As  As1  1  0.86  0.0  0.13  1.0

data_ZnFeAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   9.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFeAs2
_chemical_formula_sum   'Zn1 Fe1 As2'
_cell_volume   68.42
_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  0.86  0.0  0.62  1.0
  Fe  Fe1  1  0.0  0.0  0.43  1.0
  As  As2  1  0.0  0.0  0.42  1.0
  As  As3  1  0.86  0.0  0.13  1.0

Zn Fe As As