data_ZnNiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   134.72
_cell_angle_beta   134.72
_cell_angle_gamma   65.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNiAs2
_chemical_formula_sum   'Zn1 Ni1 As2'
_cell_volume   63.09
_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  0.93  0.0  0.11  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.22  1.0
  As  As1  1  0.0  0.93  0.11  1.0

data_ZnNiAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   5.03
_cell_angle_alpha   112.64
_cell_angle_beta   112.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNiAs2
_chemical_formula_sum   'Zn1 Ni1 As2'
_cell_volume   63.09
_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  0.11  0.17  0.17  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.17  0.11  0.17  1.0
  As  As3  1  0.22  0.22  0.22  1.0

Zn Ni As As