data_ZrInNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   142.48
_cell_angle_beta   130.6
_cell_angle_gamma   63.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInNi2
_chemical_formula_sum   'Zr1 In1 Ni2'
_cell_volume   65.59
_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  Zr3  1  0.0  0.0  0.34  1.0
  In  In0  1  0.0  0.19  0.34  1.0
  Ni  Ni1  1  0.0  0.0  0.1  1.0
  Ni  Ni2  1  0.68  0.0  0.13  1.0

data_ZrInNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.38
_cell_length_c   5.24
_cell_angle_alpha   114.7
_cell_angle_beta   108.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInNi2
_chemical_formula_sum   'Zr1 In1 Ni2'
_cell_volume   65.59
_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  0.66  0.66  0.66  1.0
  In  In1  1  0.66  0.85  0.85  1.0
  Ni  Ni2  1  0.56  0.87  0.56  1.0
  Ni  Ni3  1  0.9  0.9  0.9  1.0

Zr In Ni Ni