data_Zr2InNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   147.14
_cell_angle_beta   130.69
_cell_angle_gamma   60.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2InNi
_chemical_formula_sum   'Zr2 In1 Ni1'
_cell_volume   79.15
_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  0.0  0.42  0.69  1.0
  Zr  Zr3  1  0.0  0.0  0.44  1.0
  In  In0  1  0.0  0.42  0.36  1.0
  Ni  Ni1  1  0.0  0.0  0.52  1.0

data_Zr2InNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.83
_cell_length_c   5.79
_cell_angle_alpha   114.65
_cell_angle_beta   106.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2InNi
_chemical_formula_sum   'Zr2 In1 Ni1'
_cell_volume   79.15
_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  Zr0  1  0.0  0.44  0.44  1.0
  Zr  Zr1  1  0.58  0.27  0.27  1.0
  In  In2  1  0.58  0.94  0.94  1.0
  Ni  Ni3  1  0.0  0.52  0.52  1.0

Zr Zr In Ni