data_Zr(InNi)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   139.22
_cell_angle_beta   139.22
_cell_angle_gamma   59.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr(InNi)2
_chemical_formula_sum   'Zr1 In2 Ni2'
_cell_volume   88.98
_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  Zr4  1  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.0  0.48  1.0
  In  In1  1  0.0  0.0  0.88  1.0
  Ni  Ni2  1  0.0  0.07  0.59  1.0
  Ni  Ni3  1  0.07  0.0  0.59  1.0

data_Zr(InNi)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   119.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr(InNi)2
_chemical_formula_sum   'Zr2 In4 Ni4'
_cell_volume   177.95
_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
  Zr  Zr0  2  0.0  0.0  0.0  1.0
  In  In1  2  0.0  0.0  0.12  1.0
  In  In2  2  0.0  0.0  0.52  1.0
  Ni  Ni3  4  0.04  0.04  0.48  1.0

Zr In In Ni Ni