data_ZrNb2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   131.94
_cell_angle_beta   131.94
_cell_angle_gamma   70.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNb2Ni
_chemical_formula_sum   'Zr1 Nb2 Ni1'
_cell_volume   70.54
_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  0.06  0.0  0.07  1.0
  Nb  Nb0  1  0.0  0.0  0.14  1.0
  Nb  Nb1  1  0.0  0.06  0.07  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0

data_ZrNb2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   5.07
_cell_angle_alpha   114.03
_cell_angle_beta   114.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNb2Ni
_chemical_formula_sum   'Zr1 Nb2 Ni1'
_cell_volume   70.54
_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  0.07  0.01  0.01  1.0
  Nb  Nb1  1  0.01  0.07  0.01  1.0
  Nb  Nb2  1  0.14  0.14  0.14  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Zr Nb Nb Ni