data_ZrZnNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.68
_cell_length_c   2.99
_cell_angle_alpha   75.29
_cell_angle_beta   74.25
_cell_angle_gamma   30.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZnNi
_chemical_formula_sum   'Zr1 Zn1 Ni1'
_cell_volume   47.32
_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
  Zr  Zr2  1  0.08  0.15  0.64  1.0
  Zn  Zn1  1  0.08  0.15  0.81  1.0
  Ni  Ni0  1  0.08  0.15  0.12  1.0

data_ZrZnNi
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   2.99
_cell_length_b   10.57
_cell_length_c   2.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   ZrZnNi
_chemical_formula_sum   'Zr2 Zn2 Ni2'
_cell_volume   94.71
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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
  Zr  Zr0  2  0.0  0.0  0.21  1.0
  Zn  Zn1  2  0.0  0.0  0.03  1.0
  Ni  Ni2  2  0.0  0.0  0.72  1.0

Zr Zn Ni