data_ZrInNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   5.0
_cell_angle_alpha   109.07
_cell_angle_beta   109.07
_cell_angle_gamma   46.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInNi2
_chemical_formula_sum   'Zr1 In1 Ni2'
_cell_volume   66.92
_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  0.0  1.0
  In  In0  1  0.17  0.0  0.34  1.0
  Ni  Ni1  1  0.64  0.0  0.98  1.0
  Ni  Ni2  1  0.7  0.0  0.69  1.0

data_ZrInNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.43
_cell_length_c   5.0
_cell_angle_alpha   109.07
_cell_angle_beta   90.0
_cell_angle_gamma   113.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInNi2
_chemical_formula_sum   'Zr1 In1 Ni2'
_cell_volume   66.92
_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  0.0  0.0  1.0
  In  In1  1  0.0  0.83  0.66  1.0
  Ni  Ni2  1  0.0  0.3  0.31  1.0
  Ni  Ni3  1  0.0  0.36  0.02  1.0

Zr In Ni Ni