data_Zn2InNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   133.99
_cell_angle_beta   133.99
_cell_angle_gamma   67.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2InNi
_chemical_formula_sum   'Zn2 In1 Ni1'
_cell_volume   61.37
_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  Zn2  1  0.93  0.0  0.06  1.0
  Zn  Zn3  1  0.0  0.93  0.06  1.0
  In  In0  1  0.0  0.0  0.12  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0

data_Zn2InNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   123.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2InNi
_chemical_formula_sum   'Zn4 In2 Ni2'
_cell_volume   122.73
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.41  0.47  0.87  1.0
  In  In1  2  0.38  0.5  0.88  1.0
  Ni  Ni2  2  0.0  0.0  0.0  1.0

Zn Zn In Ni