data_ZnNiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   6.19
_cell_angle_alpha   102.98
_cell_angle_beta   102.98
_cell_angle_gamma   46.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNiSn2
_chemical_formula_sum   'Zn1 Ni1 Sn2'
_cell_volume   80.43
_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  0.21  0.0  0.0  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.9  0.0  0.72  1.0
  Sn  Sn2  1  0.52  0.0  0.28  1.0

data_ZnNiSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.31
_cell_length_c   6.19
_cell_angle_alpha   102.98
_cell_angle_beta   90.0
_cell_angle_gamma   113.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNiSn2
_chemical_formula_sum   'Zn1 Ni1 Sn2'
_cell_volume   80.43
_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  0.79  1.0  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.1  0.28  1.0
  Sn  Sn3  1  0.0  0.48  0.72  1.0

Zn Ni Sn Sn